Chemoinformaics analysis of Quinazoline And Carbazole
Molecular Weight | 482.584 | nRot | 8 |
Heavy Atom Molecular Weight | 452.344 | nRig | 32 |
Exact Molecular Weight | 482.232 | nRing | 6 |
Solubility: LogS | -5.959 | nHRing | 3 |
Solubility: LogP | 5.643 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 5 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 66 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 36 | No. of Aromatic Carbocycles | 3 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 30 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 29 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 4 | No. of Arom Atom | 23 |
No. of Oxygen atom | 3 | No. of Arom Bond | 26 |
nHA | 6 | APOL | 75.2398 |
nHD | 1 | BPOL | 39.8642 |
QED | 0.261 |
Synth | 2.48 |
Natural Product Likeliness | -0.749 |
NR-PPAR-gamma | 0.016 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.999 |
Pgp-sub | 0.592 |
HIA | 0.003 |
CACO-2 | -5.377 |
MDCK | 0.0000145 |
BBB | 0.201 |
PPB | 0.951224 |
VDSS | 2.97 |
FU | 0.0189271 |
CYP1A2-inh | 0.862 |
CYP1A2-sub | 0.797 |
CYP2c19-inh | 0.243 |
CYP2c19-sub | 0.427 |
CYP2c9-inh | 0.04 |
CYP2c9-sub | 0.597 |
CYP2d6-inh | 0.956 |
CYP2d6-sub | 0.94 |
CYP3a4-inh | 0.568 |
CYP3a4-sub | 0.559 |
CL | 6.636 |
T12 | 0.123 |
hERG | 0.986 |
Ames | 0.924 |
ROA | 0.826 |
SkinSen | 0.945 |
Carcinogencity | 0.176 |
EI | 0.013 |
Respiratory | 0.975 |
NR-Aromatase | 0.9 |
Antiviral | Yes |
Prediction | 0.614593 |