Chemoinformaics analysis of Norbornyl acetate
Molecular Weight | 154.209 | nRot | 1 |
Heavy Atom Molecular Weight | 140.097 | nRig | 9 |
Exact Molecular Weight | 154.099 | nRing | 2 |
Solubility: LogS | -2.084 | nHRing | 0 |
Solubility: LogP | 2.056 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 25 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 2 |
No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 9 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 25.9691 |
nHD | 0 | BPOL | 16.6489 |
QED | 0.538 |
Synth | 3.987 |
Natural Product Likeliness | 1.25 |
NR-PPAR-gamma | 0.009 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.009 |
Pgp-sub | 0.001 |
HIA | 0.01 |
CACO-2 | -4.516 |
MDCK | 0.0000531 |
BBB | 0.994 |
PPB | 0.387648 |
VDSS | 0.955 |
FU | 0.579173 |
CYP1A2-inh | 0.084 |
CYP1A2-sub | 0.144 |
CYP2c19-inh | 0.033 |
CYP2c19-sub | 0.737 |
CYP2c9-inh | 0.018 |
CYP2c9-sub | 0.806 |
CYP2d6-inh | 0.011 |
CYP2d6-sub | 0.572 |
CYP3a4-inh | 0.113 |
CYP3a4-sub | 0.295 |
CL | 6.19 |
T12 | 0.609 |
hERG | 0.012 |
Ames | 0.042 |
ROA | 0.01 |
SkinSen | 0.944 |
Carcinogencity | 0.394 |
EI | 0.974 |
Respiratory | 0.304 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.942164 |