Chemoinformaics analysis of Rubrosterone
Molecular Weight | 334.412 | nRot | 0 |
Heavy Atom Molecular Weight | 308.204 | nRig | 22 |
Exact Molecular Weight | 334.178 | nRing | 4 |
Solubility: LogS | -3.379 | nHRing | 0 |
Solubility: LogP | 0.822 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 50 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 24 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 3 |
No. of Hydrogen atom | 26 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 19 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 5 | No. of Arom Bond | 0 |
nHA | 5 | APOL | 53.0766 |
nHD | 3 | BPOL | 27.8194 |
QED | 0.618 |
Synth | 4.708 |
Natural Product Likeliness | 3.737 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.114 |
Pgp-sub | 0.922 |
HIA | 0.056 |
CACO-2 | -4.833 |
MDCK | 0.000017 |
BBB | 0.898 |
PPB | 0.724497 |
VDSS | 0.502 |
FU | 0.208736 |
CYP1A2-inh | 0.005 |
CYP1A2-sub | 0.878 |
CYP2c19-inh | 0.014 |
CYP2c19-sub | 0.808 |
CYP2c9-inh | 0.009 |
CYP2c9-sub | 0.108 |
CYP2d6-inh | 0.001 |
CYP2d6-sub | 0.06 |
CYP3a4-inh | 0.067 |
CYP3a4-sub | 0.893 |
CL | 3.065 |
T12 | 0.66 |
hERG | 0.025 |
Ames | 0.188 |
ROA | 0.5 |
SkinSen | 0.065 |
Carcinogencity | 0.889 |
EI | 0.022 |
Respiratory | 0.837 |
NR-Aromatase | 0.854 |
Antiviral | Yes |
Prediction | 0.686701 |