Chemoinformaics analysis of STIZOLAMINE
Molecular Weight | 197.198 | nRot | 2 |
Heavy Atom Molecular Weight | 186.11 | nRig | 9 |
Exact Molecular Weight | 197.091 | nRing | 1 |
Solubility: LogS | -1.721 | nHRing | 1 |
Solubility: LogP | -1.735 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 3 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 25 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 14 | No. of Aromatic Carbocycles | 0 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 11 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 7 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 5 | No. of Arom Atom | 6 |
No. of Oxygen atom | 2 | No. of Arom Bond | 6 |
nHA | 5 | APOL | 26.1287 |
nHD | 3 | BPOL | 14.7533 |
QED | 0.308 |
Synth | 3.866 |
Natural Product Likeliness | -0.043 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.001 |
Pgp-sub | 0.998 |
HIA | 0.015 |
CACO-2 | -5.792 |
MDCK | 0.000114007 |
BBB | 0.596 |
PPB | 0.179891 |
VDSS | 1.169 |
FU | 0.624832 |
CYP1A2-inh | 0.017 |
CYP1A2-sub | 0.79 |
CYP2c19-inh | 0.027 |
CYP2c19-sub | 0.062 |
CYP2c9-inh | 0.008 |
CYP2c9-sub | 0.068 |
CYP2d6-inh | 0.015 |
CYP2d6-sub | 0.569 |
CYP3a4-inh | 0.003 |
CYP3a4-sub | 0.143 |
CL | 1.885 |
T12 | 0.77 |
hERG | 0.069 |
Ames | 0.029 |
ROA | 0.693 |
SkinSen | 0.142 |
Carcinogencity | 0.1 |
EI | 0.023 |
Respiratory | 0.274 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.849862 |