Chemoinformaics analysis of P-Menthatrienole
Molecular Weight | 150.221 | nRot | 1 |
Heavy Atom Molecular Weight | 136.109 | nRig | 7 |
Exact Molecular Weight | 150.104 | nRing | 1 |
Solubility: LogS | -1.306 | nHRing | 0 |
Solubility: LogP | 1.429 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 25 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 0 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 10 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 26.8371 |
nHD | 1 | BPOL | 14.0449 |
QED | 0.607 |
Synth | 4.038 |
Natural Product Likeliness | 2.226 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.003 |
HIA | 0.016 |
CACO-2 | -4.486 |
MDCK | 0.0000274 |
BBB | 0.622 |
PPB | 0.670672 |
VDSS | 1.522 |
FU | 0.400882 |
CYP1A2-inh | 0.312 |
CYP1A2-sub | 0.435 |
CYP2c19-inh | 0.049 |
CYP2c19-sub | 0.865 |
CYP2c9-inh | 0.054 |
CYP2c9-sub | 0.142 |
CYP2d6-inh | 0.022 |
CYP2d6-sub | 0.503 |
CYP3a4-inh | 0.002 |
CYP3a4-sub | 0.454 |
CL | 3.149 |
T12 | 0.764 |
hERG | 0.02 |
Ames | 0.205 |
ROA | 0.342 |
SkinSen | 0.915 |
Carcinogencity | 0.721 |
EI | 0.962 |
Respiratory | 0.847 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.923663 |