Chemoinformaics analysis of p-Mentha-1(7),2-dien-8-ol
Molecular Weight | 152.237 | nRot | 1 |
Heavy Atom Molecular Weight | 136.109 | nRig | 7 |
Exact Molecular Weight | 152.12 | nRing | 1 |
Solubility: LogS | -1.507 | nHRing | 0 |
Solubility: LogP | 2.074 | 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 | 0.611 |
Synth | 4.08 |
Natural Product Likeliness | 3.062 |
NR-PPAR-gamma | 0.005 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.002 |
Pgp-sub | 0.001 |
HIA | 0.003 |
CACO-2 | -4.33 |
MDCK | 0.0000342 |
BBB | 0.996 |
PPB | 0.728216 |
VDSS | 1.108 |
FU | 0.282253 |
CYP1A2-inh | 0.045 |
CYP1A2-sub | 0.114 |
CYP2c19-inh | 0.029 |
CYP2c19-sub | 0.78 |
CYP2c9-inh | 0.048 |
CYP2c9-sub | 0.439 |
CYP2d6-inh | 0.005 |
CYP2d6-sub | 0.607 |
CYP3a4-inh | 0.02 |
CYP3a4-sub | 0.283 |
CL | 7.462 |
T12 | 0.695 |
hERG | 0.012 |
Ames | 0.013 |
ROA | 0.052 |
SkinSen | 0.927 |
Carcinogencity | 0.896 |
EI | 0.897 |
Respiratory | 0.854 |
NR-Aromatase | 0.009 |
Antiviral | No |
Prediction | 0.91533 |