Chemoinformaics analysis of MP-0382
Molecular Weight | 291.328 | nRot | 4 |
Heavy Atom Molecular Weight | 278.224 | nRig | 13 |
Exact Molecular Weight | 291.057 | nRing | 2 |
Solubility: LogS | -4.296 | nHRing | 1 |
Solubility: LogP | 3.424 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 33 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 20 | No. of Aromatic Carbocycles | 1 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 13 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 14 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 11 |
No. of Oxygen atom | 4 | No. of Arom Bond | 11 |
nHA | 6 | APOL | 39.2563 |
nHD | 1 | BPOL | 20.1137 |
QED | 0.692 |
Synth | 2.293 |
Natural Product Likeliness | -1.107 |
NR-PPAR-gamma | 0.98 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.001 |
HIA | 0.006 |
CACO-2 | -4.691 |
MDCK | 0.0000229 |
BBB | 0.109 |
PPB | 0.988712 |
VDSS | 0.578 |
FU | 0.0135904 |
CYP1A2-inh | 0.965 |
CYP1A2-sub | 0.166 |
CYP2c19-inh | 0.83 |
CYP2c19-sub | 0.064 |
CYP2c9-inh | 0.718 |
CYP2c9-sub | 0.604 |
CYP2d6-inh | 0.478 |
CYP2d6-sub | 0.234 |
CYP3a4-inh | 0.653 |
CYP3a4-sub | 0.168 |
CL | 3.841 |
T12 | 0.206 |
hERG | 0.013 |
Ames | 0.026 |
ROA | 0.003 |
SkinSen | 0.127 |
Carcinogencity | 0.038 |
EI | 0.931 |
Respiratory | 0.294 |
NR-Aromatase | 0.817 |
Antiviral | Yes |
Prediction | 0.774976 |