Chemoinformaics analysis of Uzarigenin
Molecular Weight | 374.521 | nRot | 1 |
Heavy Atom Molecular Weight | 340.249 | nRig | 25 |
Exact Molecular Weight | 374.246 | nRing | 5 |
Solubility: LogS | -4.743 | nHRing | 1 |
Solubility: LogP | 3.59 | No. of Aliphatic Rings | 5 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 61 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 27 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 4 |
No. of Hydrogen atom | 34 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 23 | No. of Saturated Rings | 4 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 4 | No. of Arom Bond | 0 |
nHA | 4 | APOL | 64.289 |
nHD | 2 | BPOL | 36.713 |
QED | 0.672 |
Synth | 4.646 |
Natural Product Likeliness | 2.552 |
NR-PPAR-gamma | 0.387 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.018 |
Pgp-sub | 0.019 |
HIA | 0.034 |
CACO-2 | -4.907 |
MDCK | 0.0000248 |
BBB | 0.913 |
PPB | 0.975598 |
VDSS | 1.487 |
FU | 0.0302647 |
CYP1A2-inh | 0.055 |
CYP1A2-sub | 0.793 |
CYP2c19-inh | 0.063 |
CYP2c19-sub | 0.704 |
CYP2c9-inh | 0.282 |
CYP2c9-sub | 0.86 |
CYP2d6-inh | 0.026 |
CYP2d6-sub | 0.865 |
CYP3a4-inh | 0.142 |
CYP3a4-sub | 0.216 |
CL | 19.998 |
T12 | 0.099 |
hERG | 0.056 |
Ames | 0.016 |
ROA | 0.962 |
SkinSen | 0.699 |
Carcinogencity | 0.09 |
EI | 0.012 |
Respiratory | 0.95 |
NR-Aromatase | 0.203 |
Antiviral | No |
Prediction | 0.622295 |