Chemoinformaics analysis of 1(7),2-P-Menthadien-6-Ol
Molecular Weight | 152.237 | nRot | 1 |
Heavy Atom Molecular Weight | 136.109 | nRig | 7 |
Exact Molecular Weight | 152.12 | nRing | 1 |
Solubility: LogS | -1.93 | nHRing | 0 |
Solubility: LogP | 2.009 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 27 | 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 | 16 | 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 | 28.1707 |
nHD | 1 | BPOL | 16.0513 |
QED | 0.61 |
Synth | 4.257 |
Natural Product Likeliness | 3.421 |
NR-PPAR-gamma | 0.064 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.001 |
HIA | 0.011 |
CACO-2 | -4.508 |
MDCK | 0.0000259 |
BBB | 0.987 |
PPB | 0.524756 |
VDSS | 1.206 |
FU | 0.380318 |
CYP1A2-inh | 0.074 |
CYP1A2-sub | 0.116 |
CYP2c19-inh | 0.03 |
CYP2c19-sub | 0.822 |
CYP2c9-inh | 0.034 |
CYP2c9-sub | 0.423 |
CYP2d6-inh | 0.003 |
CYP2d6-sub | 0.241 |
CYP3a4-inh | 0.075 |
CYP3a4-sub | 0.392 |
CL | 12.728 |
T12 | 0.563 |
hERG | 0.024 |
Ames | 0.139 |
ROA | 0.422 |
SkinSen | 0.866 |
Carcinogencity | 0.876 |
EI | 0.79 |
Respiratory | 0.958 |
NR-Aromatase | 0.017 |
Antiviral | No |
Prediction | 0.90833 |