Chemoinformaics analysis of Quinazoline
Molecular Weight | 130.15 | nRot | 0 |
Heavy Atom Molecular Weight | 124.102 | nRig | 1 |
Exact Molecular Weight | 130.053 | nRing | 2 |
Solubility: LogS | -3.915 | nHRing | 1 |
Solubility: LogP | 2.404 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 16 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 10 | No. of Aromatic Carbocycles | 1 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 6 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 8 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 10 |
No. of Oxygen atom | 0 | No. of Arom Bond | 11 |
nHA | 2 | APOL | 19.5608 |
nHD | 0 | BPOL | 8.29924 |
QED | 0.533 |
Synth | 2.558 |
Natural Product Likeliness | -0.526 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.253 |
Pgp-sub | 0.002 |
HIA | 0.005 |
CACO-2 | -4.479 |
MDCK | 0.0000194 |
BBB | 0.429 |
PPB | 0.852605 |
VDSS | 2.806 |
FU | 0.079376 |
CYP1A2-inh | 0.912 |
CYP1A2-sub | 0.918 |
CYP2c19-inh | 0.895 |
CYP2c19-sub | 0.883 |
CYP2c9-inh | 0.292 |
CYP2c9-sub | 0.466 |
CYP2d6-inh | 0.005 |
CYP2d6-sub | 0.38 |
CYP3a4-inh | 0.011 |
CYP3a4-sub | 0.414 |
CL | 3.699 |
T12 | 0.797 |
hERG | 0.017 |
Ames | 0.014 |
ROA | 0.333 |
SkinSen | 0.515 |
Carcinogencity | 0.503 |
EI | 0.917 |
Respiratory | 0.947 |
NR-Aromatase | 0.031 |
Antiviral | No |
Prediction | 0.772308 |