Chemoinformaics analysis of PODOPHYLLIC ACID
Molecular Weight | 432.425 | nRot | 6 |
Heavy Atom Molecular Weight | 408.233 | nRig | 22 |
Exact Molecular Weight | 432.142 | nRing | 4 |
Solubility: LogS | -3.538 | nHRing | 1 |
Solubility: LogP | 1.307 | No. of Aliphatic Rings | 2 |
Acid Count | 1 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 55 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 31 | No. of Aromatic Carbocycles | 2 |
nHetero | 9 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 24 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 22 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 9 | No. of Arom Bond | 12 |
nHA | 8 | APOL | 59.961 |
nHD | 3 | BPOL | 33.625 |
QED | 0.628 |
Synth | 3.778 |
Natural Product Likeliness | 1.219 |
NR-PPAR-gamma | 0.096 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.015 |
HIA | 0.005 |
CACO-2 | -5.438 |
MDCK | 0.0000459 |
BBB | 0.069 |
PPB | 0.940985 |
VDSS | 0.932 |
FU | 0.0510225 |
CYP1A2-inh | 0.022 |
CYP1A2-sub | 0.953 |
CYP2c19-inh | 0.017 |
CYP2c19-sub | 0.928 |
CYP2c9-inh | 0.009 |
CYP2c9-sub | 0.726 |
CYP2d6-inh | 0.012 |
CYP2d6-sub | 0.235 |
CYP3a4-inh | 0.136 |
CYP3a4-sub | 0.872 |
CL | 6.454 |
T12 | 0.427 |
hERG | 0.015 |
Ames | 0.008 |
ROA | 0.133 |
SkinSen | 0.029 |
Carcinogencity | 0.162 |
EI | 0.009 |
Respiratory | 0.208 |
NR-Aromatase | 0.075 |
Antiviral | Yes |
Prediction | 0.894679 |