Chemoinformaics analysis of Riboprine
Molecular Weight | 335.364 | nRot | 5 |
Heavy Atom Molecular Weight | 314.196 | nRig | 14 |
Exact Molecular Weight | 335.159 | nRing | 3 |
Solubility: LogS | -2.375 | nHRing | 3 |
Solubility: LogP | 0.806 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 45 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 24 | No. of Aromatic Carbocycles | 0 |
nHetero | 9 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 21 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 15 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 5 | No. of Arom Atom | 9 |
No. of Oxygen atom | 4 | No. of Arom Bond | 10 |
nHA | 9 | APOL | 47.7607 |
nHD | 4 | BPOL | 28.5033 |
QED | 0.645 |
Synth | 2.573 |
Natural Product Likeliness | 0.554 |
NR-PPAR-gamma | 0.924 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.033 |
Pgp-sub | 0.029 |
HIA | 0.618 |
CACO-2 | -4.863 |
MDCK | 0.0000216 |
BBB | 0.989 |
PPB | 0.611401 |
VDSS | 0.743 |
FU | 0.529229 |
CYP1A2-inh | 0.834 |
CYP1A2-sub | 0.358 |
CYP2c19-inh | 0.237 |
CYP2c19-sub | 0.104 |
CYP2c9-inh | 0.282 |
CYP2c9-sub | 0.165 |
CYP2d6-inh | 0.489 |
CYP2d6-sub | 0.47 |
CYP3a4-inh | 0.03 |
CYP3a4-sub | 0.157 |
CL | 1.711 |
T12 | 0.398 |
hERG | 0.022 |
Ames | 0.906 |
ROA | 0.388 |
SkinSen | 0.852 |
Carcinogencity | 0.768 |
EI | 0.978 |
Respiratory | 0.862 |
NR-Aromatase | 0.029 |
Antiviral | Yes |
Prediction | 0.678704 |