Chemoinformaics analysis of Hoodigogenin A
Molecular Weight | 430.585 | nRot | 3 |
Heavy Atom Molecular Weight | 392.281 | nRig | 23 |
Exact Molecular Weight | 430.272 | nRing | 4 |
Solubility: LogS | -4.392 | nHRing | 0 |
Solubility: LogP | 3.072 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 69 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 31 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 3 |
No. of Hydrogen atom | 38 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 26 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 5 | No. of Arom Bond | 0 |
nHA | 5 | APOL | 72.7681 |
nHD | 2 | BPOL | 41.5939 |
QED | 0.4 |
Synth | 4.792 |
Natural Product Likeliness | 3.197 |
NR-PPAR-gamma | 0.305 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.643 |
Pgp-sub | 0.961 |
HIA | 0.008 |
CACO-2 | -4.622 |
MDCK | 0.0000152 |
BBB | 0.821 |
PPB | 0.911576 |
VDSS | 1.005 |
FU | 0.0844035 |
CYP1A2-inh | 0.039 |
CYP1A2-sub | 0.425 |
CYP2c19-inh | 0.436 |
CYP2c19-sub | 0.811 |
CYP2c9-inh | 0.474 |
CYP2c9-sub | 0.174 |
CYP2d6-inh | 0.088 |
CYP2d6-sub | 0.186 |
CYP3a4-inh | 0.853 |
CYP3a4-sub | 0.342 |
CL | 10.019 |
T12 | 0.454 |
hERG | 0.026 |
Ames | 0.009 |
ROA | 0.133 |
SkinSen | 0.493 |
Carcinogencity | 0.674 |
EI | 0.069 |
Respiratory | 0.964 |
NR-Aromatase | 0.863 |
Antiviral | Yes |
Prediction | 0.855798 |