Chemoinformaics analysis of l-Menthol
Molecular Weight | 156.269 | nRot | 1 |
Heavy Atom Molecular Weight | 136.109 | nRig | 6 |
Exact Molecular Weight | 156.151 | nRing | 1 |
Solubility: LogS | -2.671 | nHRing | 0 |
Solubility: LogP | 3.098 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 31 | 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 | 1 |
No. of Hydrogen atom | 20 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 10 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 30.8379 |
nHD | 1 | BPOL | 20.0641 |
QED | 0.618 |
Synth | 3.353 |
Natural Product Likeliness | 1.864 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.96 |
HIA | 0.004 |
CACO-2 | -4.337 |
MDCK | 0.0000196 |
BBB | 0.46 |
PPB | 0.910248 |
VDSS | 1.749 |
FU | 0.0698006 |
CYP1A2-inh | 0.381 |
CYP1A2-sub | 0.552 |
CYP2c19-inh | 0.063 |
CYP2c19-sub | 0.842 |
CYP2c9-inh | 0.29 |
CYP2c9-sub | 0.846 |
CYP2d6-inh | 0.008 |
CYP2d6-sub | 0.252 |
CYP3a4-inh | 0.042 |
CYP3a4-sub | 0.357 |
CL | 9.15 |
T12 | 0.496 |
hERG | 0.054 |
Ames | 0.012 |
ROA | 0.038 |
SkinSen | 0.428 |
Carcinogencity | 0.148 |
EI | 0.979 |
Respiratory | 0.372 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.905283 |