Chemoinformaics analysis of HIPPADINE
Molecular Weight | 263.252 | nRot | 0 |
Heavy Atom Molecular Weight | 254.18 | nRig | 24 |
Exact Molecular Weight | 263.058 | nRing | 5 |
Solubility: LogS | -7.404 | nHRing | 3 |
Solubility: LogP | 3.635 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 4 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 29 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 20 | No. of Aromatic Carbocycles | 2 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 9 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 16 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 16 |
No. of Oxygen atom | 3 | No. of Arom Bond | 19 |
nHA | 4 | APOL | 36.2271 |
nHD | 0 | BPOL | 15.0789 |
QED | 0.458 |
Synth | 2.405 |
Natural Product Likeliness | 0.147 |
NR-PPAR-gamma | 0.006 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.007 |
Pgp-sub | 0.001 |
HIA | 0.002 |
CACO-2 | -4.812 |
MDCK | 0.0000245 |
BBB | 0.58 |
PPB | 0.951374 |
VDSS | 0.544 |
FU | 0.0166986 |
CYP1A2-inh | 0.984 |
CYP1A2-sub | 0.187 |
CYP2c19-inh | 0.941 |
CYP2c19-sub | 0.175 |
CYP2c9-inh | 0.618 |
CYP2c9-sub | 0.889 |
CYP2d6-inh | 0.932 |
CYP2d6-sub | 0.894 |
CYP3a4-inh | 0.906 |
CYP3a4-sub | 0.13 |
CL | 13.475 |
T12 | 0.168 |
hERG | 0.056 |
Ames | 0.962 |
ROA | 0.047 |
SkinSen | 0.272 |
Carcinogencity | 0.966 |
EI | 0.58 |
Respiratory | 0.349 |
NR-Aromatase | 0.125 |
Antiviral | Yes |
Prediction | 0.700833 |