Chemoinformaics analysis of trans-p-Menth-2-en-1-ol
Molecular Weight | 154.253 | nRot | 1 |
Heavy Atom Molecular Weight | 136.109 | nRig | 6 |
Exact Molecular Weight | 154.136 | nRing | 1 |
Solubility: LogS | -2.061 | nHRing | 0 |
Solubility: LogP | 2.745 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 29 | 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 | 18 | 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 | 29.5043 |
nHD | 1 | BPOL | 18.0577 |
QED | 0.575 |
Synth | 3.833 |
Natural Product Likeliness | 3.545 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.002 |
HIA | 0.005 |
CACO-2 | -4.142 |
MDCK | 0.0000242 |
BBB | 0.988 |
PPB | 0.78134 |
VDSS | 1.177 |
FU | 0.241457 |
CYP1A2-inh | 0.112 |
CYP1A2-sub | 0.677 |
CYP2c19-inh | 0.122 |
CYP2c19-sub | 0.872 |
CYP2c9-inh | 0.075 |
CYP2c9-sub | 0.205 |
CYP2d6-inh | 0.014 |
CYP2d6-sub | 0.148 |
CYP3a4-inh | 0.568 |
CYP3a4-sub | 0.572 |
CL | 9.475 |
T12 | 0.409 |
hERG | 0.01 |
Ames | 0.014 |
ROA | 0.048 |
SkinSen | 0.046 |
Carcinogencity | 0.119 |
EI | 0.922 |
Respiratory | 0.018 |
NR-Aromatase | 0.007 |
Antiviral | No |
Prediction | 0.930017 |