Chemoinformaics analysis of Hydroxyprogesterone
Molecular Weight | 330.468 | nRot | 1 |
Heavy Atom Molecular Weight | 300.228 | nRig | 22 |
Exact Molecular Weight | 330.219 | nRing | 4 |
Solubility: LogS | -4.334 | nHRing | 0 |
Solubility: LogP | 3.325 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 54 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 24 | No. of Aromatic Carbocycles | 0 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 3 |
No. of Hydrogen atom | 30 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 21 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 3 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 57.4798 |
nHD | 1 | BPOL | 31.8322 |
QED | 0.743 |
Synth | 4.227 |
Natural Product Likeliness | 2.241 |
NR-PPAR-gamma | 0.005 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.819 |
Pgp-sub | 0.005 |
HIA | 0.008 |
CACO-2 | -4.723 |
MDCK | 0.0000168 |
BBB | 0.954 |
PPB | 0.835429 |
VDSS | 0.784 |
FU | 0.0633728 |
CYP1A2-inh | 0.038 |
CYP1A2-sub | 0.799 |
CYP2c19-inh | 0.2 |
CYP2c19-sub | 0.872 |
CYP2c9-inh | 0.064 |
CYP2c9-sub | 0.134 |
CYP2d6-inh | 0.01 |
CYP2d6-sub | 0.122 |
CYP3a4-inh | 0.455 |
CYP3a4-sub | 0.911 |
CL | 6.421 |
T12 | 0.842 |
hERG | 0.052 |
Ames | 0.014 |
ROA | 0.042 |
SkinSen | 0.871 |
Carcinogencity | 0.848 |
EI | 0.227 |
Respiratory | 0.937 |
NR-Aromatase | 0.843 |
Antiviral | No |
Prediction | 0.670845 |