Chemoinformaics analysis of Solidagenone
Molecular Weight | 316.441 | nRot | 3 |
Heavy Atom Molecular Weight | 288.217 | nRig | 17 |
Exact Molecular Weight | 316.204 | nRing | 3 |
Solubility: LogS | -5.009 | nHRing | 1 |
Solubility: LogP | 3.945 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 51 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 0 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 28 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 20 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 5 |
No. of Oxygen atom | 3 | No. of Arom Bond | 5 |
nHA | 3 | APOL | 54.4762 |
nHD | 1 | BPOL | 30.6938 |
QED | 0.904 |
Synth | 4.297 |
Natural Product Likeliness | 2.519 |
NR-PPAR-gamma | 0.019 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.916 |
Pgp-sub | 0.003 |
HIA | 0.007 |
CACO-2 | -4.78 |
MDCK | 0.0000273 |
BBB | 0.305 |
PPB | 0.944103 |
VDSS | 1.959 |
FU | 0.029881 |
CYP1A2-inh | 0.186 |
CYP1A2-sub | 0.582 |
CYP2c19-inh | 0.836 |
CYP2c19-sub | 0.826 |
CYP2c9-inh | 0.84 |
CYP2c9-sub | 0.109 |
CYP2d6-inh | 0.202 |
CYP2d6-sub | 0.112 |
CYP3a4-inh | 0.693 |
CYP3a4-sub | 0.716 |
CL | 11.88 |
T12 | 0.088 |
hERG | 0.029 |
Ames | 0.006 |
ROA | 0.938 |
SkinSen | 0.196 |
Carcinogencity | 0.93 |
EI | 0.086 |
Respiratory | 0.979 |
NR-Aromatase | 0.891 |
Antiviral | No |
Prediction | 0.744087 |