Chemoinformaics analysis of Androsin
Molecular Weight | 328.317 | nRot | 5 |
Heavy Atom Molecular Weight | 308.157 | nRig | 13 |
Exact Molecular Weight | 328.116 | nRing | 2 |
Solubility: LogS | -1.374 | nHRing | 1 |
Solubility: LogP | -0.596 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 43 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 1 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 20 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 15 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
No. of Oxygen atom | 8 | No. of Arom Bond | 6 |
nHA | 8 | APOL | 44.8019 |
nHD | 4 | BPOL | 26.1401 |
QED | 0.511 |
Synth | 3.358 |
Natural Product Likeliness | 1.421 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.222 |
HIA | 0.846 |
CACO-2 | -5.552 |
MDCK | 0.000164734 |
BBB | 0.747 |
PPB | 0.29959 |
VDSS | 0.35 |
FU | 0.531179 |
CYP1A2-inh | 0.033 |
CYP1A2-sub | 0.113 |
CYP2c19-inh | 0.012 |
CYP2c19-sub | 0.596 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.423 |
CYP2d6-inh | 0.003 |
CYP2d6-sub | 0.323 |
CYP3a4-inh | 0.006 |
CYP3a4-sub | 0.056 |
CL | 2.238 |
T12 | 0.615 |
hERG | 0.042 |
Ames | 0.218 |
ROA | 0.032 |
SkinSen | 0.028 |
Carcinogencity | 0.191 |
EI | 0.013 |
Respiratory | 0.01 |
NR-Aromatase | 0.017 |
Antiviral | Yes |
Prediction | 0.667808 |