Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
| 2,3-Trimethylenenorbornane |
| 4,7-Methano-1H-indene, octahydro- |
| Bicyclo(2.2.1)heptane, 2,3-(1,3-propanediyl)- |
| Bicyclo[2.2.1]heptane, 2,3-(1,3-propanediyl)- |
| exo-5,6-Trimethylenenorbornane |
| Norbornane, 2,3-trimethylene- |
| Octahydro-4,7-methano-1H-indene |
| 2, 3-Trimethylenenorbornane |
| 220-585-8[EINECS] |
| 220-586-3[EINECS] |
| 2825-82-3[RN] |
| 2825-83-4[RN] |
| 4,7-Methanoindan, hexahydro- |
| 50745-89-6[RN] |
| 6004-38-2[RN] |
| HEXAHYDRO-4,7-METHANOINDAN |
| JP-10 jet fuel |
| Tetrahydrodicyclopentadiene |
| Tricyclo[5.2.1.0(sup2,6)]decane |
| Tricyclo[5.2.1.02,6]decane |
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
| JP 10 |
| JP-10 |
| LS-181714 |
| NSC22464 |
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|
LogP: |
ACD/LogP:
4.22
XLogP:
4.80
ALOGPS:
3.72
|
# of Rule of 5 Violations: |
0
|
|
ACD/LogD (pH 5.5): |
4.22
|
ACD/LogD (pH 7.4): |
4.22
|
|
ACD/BCF (pH 5.5): |
952.17
|
ACD/BCF (pH 7.4): |
952.17
|
|
ACD/KOC (pH 5.5): |
4718.05
|
ACD/KOC (pH 7.4): |
4718.05
|
|
#H bond acceptors: |
0
|
#H bond donors: |
0
|
|
#Freely Rotating Bonds: |
0
|
Polar Surface Area: |
0
Å2
|
|
Index of Refraction: |
1.517
|
Molar Refractivity: |
42.22
cm3
|
|
Molar Volume: |
139.4
cm3
|
Polarizability: |
16.73
10-24cm3
|
|
Surface Tension: |
34.4
dyne/cm
|
Density: |
0.976
g/cm3
|
|
Flash Point: |
40.6
°C
|
Enthalpy of Vaporization: |
41.12
kJ/mol
|
|
Boiling Point: |
192.5
°C at 760 mmHg
|
Vapour Pressure: |
0.678
mmHg at 25°C
|
Descriptors:
0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 16, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0
| Category | Target | PDB Code | LASSO Score |
| Nuclear Hormone Receptors | ER, estrogen receptor; agonist | 1l2i | 1.00 |
| Nuclear Hormone Receptors | MR, mineralocorticoid receptor | 2aa2 | 0.73 |
| Nuclear Hormone Receptors | AR, androgen receptor | 1xq2 | 0.45 |
| Nuclear Hormone Receptors | PR, progesterone receptor | 1sr7 | 0.35 |
| Metalloenzymes | ADA, adenosine deaminase | 1stw | 0.18 |
| Nuclear Hormone Receptors | GR, glucocorticoid receptor | 1m2z | 0.10 |
| Other Enzymes | HMGR, hydroxymethylglutaryl-CoA reductase | 1hw8 | 0.03 |
| Nuclear Hormone Receptors | RXRa, retinoic X receptor R | 1mvc | 0.03 |
| Metalloenzymes | ACE, angiotensin-converting enzyme | 1o86 | 0.03 |
| Nuclear Hormone Receptors | PPARg, peroxisome proliferator activated receptor | 1fm9 | 0.03 |
| Other Enzymes | InhA, enoyl ACP reductase | 1p44 | 0.02 |
| Kinases | SRC, tyrosine kinase SRC | 2src | 0.01 |
| Serine Proteases | Thrombin | 1ba8 | 0.01 |
| Other Enzymes | HIVPR, HIV protease | 1hpx | 0.01 |
| Nuclear Hormone Receptors | ER, estrogen receptor; antagonist | 3ert | 0.01 |
| Metalloenzymes | PDE5, phosphodiesterase 5 | 1xp0 | 0.01 |
| Kinases | TK, thymidine kinase | 1kim | 0.01 |
| Other Enzymes | PARP, poly(ADP-ribose) polymerase | 1efy | 0.01 |
| Other Enzymes | PNP, purine nucleoside phosphorylase | 1b8o | 0.01 |
| Other Enzymes | AmpC, AmpC beta-lactamase | 1xgj | 0.00 |
| Other Enzymes | HIVRT, HIV reverse transcriptase | 1rt1 | 0.00 |
| Folate Enzymes | DHFR, dihydrofolate reductase | 3dfr | 0.00 |
| Serine Proteases | Trypsin | 1bju | 0.00 |
| Kinases | VEGFr2, vascular endothelial growth factor receptor | 1vr2 | 0.00 |
| Other Enzymes | GPB, glycogen phosphorylase | 1a8i | 0.00 |
| Other Enzymes | NA, neuraminidase | 1a4g | 0.00 |
| Other Enzymes | SAHH, S-adenosyl-homocysteine hydrolase | 1a7a | 0.00 |
| Kinases | FGFr1, fibroblast growth factor receptor kinase | 1agw | 0.00 |
| Other Enzymes | COX-2, cyclooxygenase-2 | 1cx2 | 0.00 |
| Metalloenzymes | COMT, catechol O-methyltransferase | 1h1d | 0.00 |
| Kinases | CDK2, cyclindependent kinase 2 | 1ckp | 0.00 |
| Other Enzymes | AChE, acetylcholinesterase | 1eve | 0.00 |
| Kinases | P38 MAP, P38 mitogen activated protein | 1kv2 | 0.00 |
| Kinases | PDGFrb, platelet derived growth factor receptor kinase | N/A | 0.00 |
| Folate Enzymes | GART, glycinamide ribonucleotide transformylase | 1c2t | 0.00 |
| Kinases | HSP90, human heat shock protein 90 | 1uy6 | 0.00 |
| Kinases | EGFr, epidermal growth factor receptor | 1m17 | 0.00 |
| Serine Proteases | FXa, factor Xa | 1f0r | 0.00 |
|