Chemoinformaics analysis of Cucurbic acid
Molecular Weight | 212.289 | nRot | 5 |
Heavy Atom Molecular Weight | 192.129 | nRig | 7 |
Exact Molecular Weight | 212.141 | nRing | 1 |
Solubility: LogS | -2.182 | nHRing | 0 |
Solubility: LogP | 2.535 | No. of Aliphatic Rings | 1 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 35 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 15 | No. of Aromatic Carbocycles | 0 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 20 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 12 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 3 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 35.7819 |
nHD | 2 | BPOL | 20.9321 |
QED | 0.687 |
Synth | 3.695 |
Natural Product Likeliness | 2.266 |
NR-PPAR-gamma | 0.378 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.002 |
HIA | 0.133 |
CACO-2 | -4.581 |
MDCK | 0.0000908 |
BBB | 0.746 |
PPB | 0.782353 |
VDSS | 0.361 |
FU | 0.175991 |
CYP1A2-inh | 0.022 |
CYP1A2-sub | 0.391 |
CYP2c19-inh | 0.01 |
CYP2c19-sub | 0.319 |
CYP2c9-inh | 0.004 |
CYP2c9-sub | 0.951 |
CYP2d6-inh | 0.001 |
CYP2d6-sub | 0.248 |
CYP3a4-inh | 0.008 |
CYP3a4-sub | 0.078 |
CL | 12.664 |
T12 | 0.872 |
hERG | 0.01 |
Ames | 0.007 |
ROA | 0.009 |
SkinSen | 0.212 |
Carcinogencity | 0.433 |
EI | 0.707 |
Respiratory | 0.173 |
NR-Aromatase | 0.004 |
Antiviral | Yes |
Prediction | 0.60222 |