Chemoinformaics analysis of OSTHENOL
Molecular Weight | 230.263 | nRot | 2 |
Heavy Atom Molecular Weight | 216.151 | nRig | 13 |
Exact Molecular Weight | 230.094 | nRing | 2 |
Solubility: LogS | -3.124 | nHRing | 1 |
Solubility: LogP | 3.391 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 31 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 17 | No. of Aromatic Carbocycles | 1 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 14 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 10 |
No. of Oxygen atom | 3 | No. of Arom Bond | 11 |
nHA | 3 | APOL | 35.1211 |
nHD | 1 | BPOL | 16.6489 |
QED | 0.637 |
Synth | 2.525 |
Natural Product Likeliness | 1.965 |
NR-PPAR-gamma | 0.627 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.003 |
Pgp-sub | 0.162 |
HIA | 0.007 |
CACO-2 | -4.698 |
MDCK | 0.0000221 |
BBB | 0.031 |
PPB | 0.917723 |
VDSS | 0.768 |
FU | 0.0842447 |
CYP1A2-inh | 0.983 |
CYP1A2-sub | 0.652 |
CYP2c19-inh | 0.857 |
CYP2c19-sub | 0.073 |
CYP2c9-inh | 0.514 |
CYP2c9-sub | 0.892 |
CYP2d6-inh | 0.772 |
CYP2d6-sub | 0.681 |
CYP3a4-inh | 0.442 |
CYP3a4-sub | 0.162 |
CL | 15.606 |
T12 | 0.749 |
hERG | 0.015 |
Ames | 0.298 |
ROA | 0.196 |
SkinSen | 0.43 |
Carcinogencity | 0.772 |
EI | 0.255 |
Respiratory | 0.789 |
NR-Aromatase | 0.547 |
Antiviral | No |
Prediction | 0.713731 |