Chemoinformaics analysis of Oripavidine
Molecular Weight | 283.327 | nRot | 1 |
Heavy Atom Molecular Weight | 266.191 | nRig | 22 |
Exact Molecular Weight | 283.121 | nRing | 5 |
Solubility: LogS | -1.891 | nHRing | 2 |
Solubility: LogP | 1.561 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 38 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 1 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 17 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 17 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 3 | No. of Arom Bond | 6 |
nHA | 4 | APOL | 43.2315 |
nHD | 2 | BPOL | 21.0965 |
QED | 0.825 |
Synth | 5.384 |
Natural Product Likeliness | 2.525 |
NR-PPAR-gamma | 0.009 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.002 |
Pgp-sub | 0.988 |
HIA | 0.005 |
CACO-2 | -5.337 |
MDCK | 0.0000166 |
BBB | 0.967 |
PPB | 0.328139 |
VDSS | 2.76 |
FU | 0.687279 |
CYP1A2-inh | 0.134 |
CYP1A2-sub | 0.295 |
CYP2c19-inh | 0.064 |
CYP2c19-sub | 0.739 |
CYP2c9-inh | 0.019 |
CYP2c9-sub | 0.35 |
CYP2d6-inh | 0.414 |
CYP2d6-sub | 0.871 |
CYP3a4-inh | 0.021 |
CYP3a4-sub | 0.903 |
CL | 8.866 |
T12 | 0.526 |
hERG | 0.709 |
Ames | 0.633 |
ROA | 0.986 |
SkinSen | 0.872 |
Carcinogencity | 0.731 |
EI | 0.013 |
Respiratory | 0.957 |
NR-Aromatase | 0.154 |
Antiviral | Yes |
Prediction | 0.740844 |