Chemoinformaics analysis of PIPERITENOL
Molecular Weight | 152.237 | nRot | 0 |
Heavy Atom Molecular Weight | 136.109 | nRig | 7 |
Exact Molecular Weight | 152.12 | nRing | 1 |
Solubility: LogS | -2.537 | nHRing | 0 |
Solubility: LogP | 2.619 | 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 | 0.528 |
Synth | 3.856 |
Natural Product Likeliness | 2.596 |
NR-PPAR-gamma | 0.006 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.005 |
Pgp-sub | 0.238 |
HIA | 0.012 |
CACO-2 | -4.408 |
MDCK | 0.0000145 |
BBB | 0.598 |
PPB | 0.931157 |
VDSS | 2.744 |
FU | 0.07469 |
CYP1A2-inh | 0.248 |
CYP1A2-sub | 0.408 |
CYP2c19-inh | 0.09 |
CYP2c19-sub | 0.856 |
CYP2c9-inh | 0.051 |
CYP2c9-sub | 0.885 |
CYP2d6-inh | 0.019 |
CYP2d6-sub | 0.358 |
CYP3a4-inh | 0.01 |
CYP3a4-sub | 0.268 |
CL | 8.188 |
T12 | 0.667 |
hERG | 0.009 |
Ames | 0.022 |
ROA | 0.031 |
SkinSen | 0.094 |
Carcinogencity | 0.468 |
EI | 0.826 |
Respiratory | 0.029 |
NR-Aromatase | 0.007 |
Antiviral | No |
Prediction | 0.91333 |