Chemoinformaics analysis of 4-Hydroxyquinazoline
Molecular Weight | 146.149 | nRot | 0 |
Heavy Atom Molecular Weight | 140.101 | nRig | 12 |
Exact Molecular Weight | 146.048 | nRing | 2 |
Solubility: LogS | -2.006 | nHRing | 1 |
Solubility: LogP | 0.597 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 17 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 1 |
nHetero | 3 | 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 | 1 | No. of Arom Bond | 11 |
nHA | 2 | APOL | 20.3628 |
nHD | 1 | BPOL | 8.59724 |
QED | 0.6 |
Synth | 2.02 |
Natural Product Likeliness | -0.866 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.062 |
HIA | 0.015 |
CACO-2 | -4.457 |
MDCK | 0.0000155 |
BBB | 0.551 |
PPB | 0.348789 |
VDSS | 0.892 |
FU | 0.542185 |
CYP1A2-inh | 0.882 |
CYP1A2-sub | 0.531 |
CYP2c19-inh | 0.136 |
CYP2c19-sub | 0.321 |
CYP2c9-inh | 0.034 |
CYP2c9-sub | 0.798 |
CYP2d6-inh | 0.064 |
CYP2d6-sub | 0.129 |
CYP3a4-inh | 0.102 |
CYP3a4-sub | 0.227 |
CL | 9.693 |
T12 | 0.894 |
hERG | 0.057 |
Ames | 0.228 |
ROA | 0.855 |
SkinSen | 0.48 |
Carcinogencity | 0.096 |
EI | 0.981 |
Respiratory | 0.574 |
NR-Aromatase | 0.421 |
Antiviral | No |
Prediction | 0.621129 |