Chemoinformaics analysis of Zardaverine
Molecular Weight | 268.219 | nRot | 4 |
Heavy Atom Molecular Weight | 258.139 | nRig | 13 |
Exact Molecular Weight | 268.066 | nRing | 2 |
Solubility: LogS | -3.804 | nHRing | 1 |
Solubility: LogP | 2.025 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 29 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 19 | No. of Aromatic Carbocycles | 1 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 10 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 12 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 12 |
No. of Oxygen atom | 3 | No. of Arom Bond | 12 |
nHA | 4 | APOL | 32.4279 |
nHD | 1 | BPOL | 17.1681 |
QED | 0.921 |
Synth | 2.176 |
Natural Product Likeliness | -1.587 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.007 |
Pgp-sub | 0.002 |
HIA | 0.004 |
CACO-2 | -4.809 |
MDCK | 0.0000154 |
BBB | 0.825 |
PPB | 0.894236 |
VDSS | 1.313 |
FU | 0.0941968 |
CYP1A2-inh | 0.979 |
CYP1A2-sub | 0.883 |
CYP2c19-inh | 0.304 |
CYP2c19-sub | 0.062 |
CYP2c9-inh | 0.046 |
CYP2c9-sub | 0.307 |
CYP2d6-inh | 0.023 |
CYP2d6-sub | 0.444 |
CYP3a4-inh | 0.093 |
CYP3a4-sub | 0.128 |
CL | 4.724 |
T12 | 0.359 |
hERG | 0.215 |
Ames | 0.234 |
ROA | 0.374 |
SkinSen | 0.062 |
Carcinogencity | 0.588 |
EI | 0.019 |
Respiratory | 0.847 |
NR-Aromatase | 0.01 |
Antiviral | Yes |
Prediction | 0.577797 |