Chemoinformaics analysis of VISCIC-ACID
Molecular Weight | 250.338 | nRot | 2 |
Heavy Atom Molecular Weight | 228.162 | nRig | 14 |
Exact Molecular Weight | 250.157 | nRing | 2 |
Solubility: LogS | -2.845 | nHRing | 0 |
Solubility: LogP | 1.338 | No. of Aliphatic Rings | 2 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 40 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 18 | No. of Aromatic Carbocycles | 0 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 2 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 15 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 3 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 42.1254 |
nHD | 2 | BPOL | 22.9386 |
QED | 0.585 |
Synth | 4.427 |
Natural Product Likeliness | 3.164 |
NR-PPAR-gamma | 0.079 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.001 |
HIA | 0.088 |
CACO-2 | -5.004 |
MDCK | 0.00000659 |
BBB | 0.318 |
PPB | 0.597807 |
VDSS | 0.358 |
FU | 0.279031 |
CYP1A2-inh | 0.034 |
CYP1A2-sub | 0.321 |
CYP2c19-inh | 0.017 |
CYP2c19-sub | 0.065 |
CYP2c9-inh | 0.065 |
CYP2c9-sub | 0.309 |
CYP2d6-inh | 0.009 |
CYP2d6-sub | 0.253 |
CYP3a4-inh | 0.014 |
CYP3a4-sub | 0.148 |
CL | 2.937 |
T12 | 0.192 |
hERG | 0.015 |
Ames | 0.012 |
ROA | 0.674 |
SkinSen | 0.058 |
Carcinogencity | 0.762 |
EI | 0.325 |
Respiratory | 0.965 |
NR-Aromatase | 0.015 |
Antiviral | Yes |
Prediction | 0.878645 |