Chemoinformaics analysis of VERANISATIN C
Molecular Weight | 372.326 | nRot | 1 |
Heavy Atom Molecular Weight | 352.166 | nRig | 21 |
Exact Molecular Weight | 372.106 | nRing | 4 |
Solubility: LogS | -2.013 | nHRing | 2 |
Solubility: LogP | -0.287 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 46 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 26 | No. of Aromatic Carbocycles | 0 |
nHetero | 10 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 2 |
No. of Hydrogen atom | 20 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 16 | No. of Saturated Rings | 4 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 10 | No. of Arom Bond | 0 |
nHA | 10 | APOL | 48.0759 |
nHD | 4 | BPOL | 27.8761 |
QED | 0.355 |
Synth | 6.811 |
Natural Product Likeliness | 2.686 |
NR-PPAR-gamma | 0.025 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.006 |
Pgp-sub | 0.929 |
HIA | 0.627 |
CACO-2 | -5.794 |
MDCK | 0.000184741 |
BBB | 0.383 |
PPB | 0.183559 |
VDSS | 0.602 |
FU | 0.792368 |
CYP1A2-inh | 0.003 |
CYP1A2-sub | 0.956 |
CYP2c19-inh | 0.012 |
CYP2c19-sub | 0.825 |
CYP2c9-inh | 0.002 |
CYP2c9-sub | 0.052 |
CYP2d6-inh | 0.001 |
CYP2d6-sub | 0.092 |
CYP3a4-inh | 0.011 |
CYP3a4-sub | 0.571 |
CL | 1.904 |
T12 | 0.144 |
hERG | 0.009 |
Ames | 0.39 |
ROA | 0.996 |
SkinSen | 0.01 |
Carcinogencity | 0.171 |
EI | 0.021 |
Respiratory | 0.355 |
NR-Aromatase | 0.948 |
Antiviral | Yes |
Prediction | 0.632305 |