Chemoinformaics analysis of Androstenedione
Molecular Weight | 286.415 | nRot | 0 |
Heavy Atom Molecular Weight | 260.207 | nRig | 22 |
Exact Molecular Weight | 286.193 | nRing | 4 |
Solubility: LogS | -3.741 | nHRing | 0 |
Solubility: LogP | 3.087 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 47 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | 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 | 2 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 50.6706 |
nHD | 0 | BPOL | 27.8194 |
QED | 0.629 |
Synth | 3.986 |
Natural Product Likeliness | 2.424 |
NR-PPAR-gamma | 0.159 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.932 |
Pgp-sub | 0.018 |
HIA | 0.008 |
CACO-2 | -4.706 |
MDCK | 0.0000141 |
BBB | 0.594 |
PPB | 0.845704 |
VDSS | 0.668 |
FU | 0.0525184 |
CYP1A2-inh | 0.083 |
CYP1A2-sub | 0.43 |
CYP2c19-inh | 0.258 |
CYP2c19-sub | 0.836 |
CYP2c9-inh | 0.131 |
CYP2c9-sub | 0.268 |
CYP2d6-inh | 0.011 |
CYP2d6-sub | 0.274 |
CYP3a4-inh | 0.69 |
CYP3a4-sub | 0.655 |
CL | 12.286 |
T12 | 0.9 |
hERG | 0.08 |
Ames | 0.052 |
ROA | 0.151 |
SkinSen | 0.763 |
Carcinogencity | 0.838 |
EI | 0.725 |
Respiratory | 0.921 |
NR-Aromatase | 0.384 |
Antiviral | No |
Prediction | 0.709622 |