Chemoinformaics analysis of Testosterone
Molecular Weight | 288.431 | nRot | 0 |
Heavy Atom Molecular Weight | 260.207 | nRig | 21 |
Exact Molecular Weight | 288.209 | nRing | 4 |
Solubility: LogS | -4.516 | nHRing | 0 |
Solubility: LogP | 3.042 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 49 | 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 | 28 | 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 | 52.0042 |
nHD | 1 | BPOL | 28.9578 |
QED | 0.734 |
Synth | 3.903 |
Natural Product Likeliness | 2.515 |
NR-PPAR-gamma | 0.157 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.981 |
Pgp-sub | 0.001 |
HIA | 0.005 |
CACO-2 | -4.829 |
MDCK | 0.000023 |
BBB | 0.219 |
PPB | 0.94198 |
VDSS | 0.805 |
FU | 0.0375895 |
CYP1A2-inh | 0.067 |
CYP1A2-sub | 0.654 |
CYP2c19-inh | 0.131 |
CYP2c19-sub | 0.932 |
CYP2c9-inh | 0.254 |
CYP2c9-sub | 0.756 |
CYP2d6-inh | 0.009 |
CYP2d6-sub | 0.88 |
CYP3a4-inh | 0.052 |
CYP3a4-sub | 0.554 |
CL | 19.778 |
T12 | 0.39 |
hERG | 0.057 |
Ames | 0.015 |
ROA | 0.043 |
SkinSen | 0.102 |
Carcinogencity | 0.31 |
EI | 0.012 |
Respiratory | 0.868 |
NR-Aromatase | 0.085 |
Antiviral | No |
Prediction | 0.701848 |