Chemoinformaics analysis of Azacridone A
Molecular Weight | 308.337 | nRot | 0 |
Heavy Atom Molecular Weight | 292.209 | nRig | 22 |
Exact Molecular Weight | 308.116 | nRing | 4 |
Solubility: LogS | -3.994 | nHRing | 3 |
Solubility: LogP | 3.011 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 39 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 1 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 18 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 14 |
No. of Oxygen atom | 3 | No. of Arom Bond | 16 |
nHA | 5 | APOL | 45.3347 |
nHD | 1 | BPOL | 21.5053 |
QED | 0.648 |
Synth | 2.997 |
Natural Product Likeliness | 1.88 |
NR-PPAR-gamma | 0.947 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.003 |
Pgp-sub | 0.003 |
HIA | 0.045 |
CACO-2 | -4.653 |
MDCK | 0.0000253 |
BBB | 0.231 |
PPB | 0.958848 |
VDSS | 0.824 |
FU | 0.0245525 |
CYP1A2-inh | 0.975 |
CYP1A2-sub | 0.631 |
CYP2c19-inh | 0.756 |
CYP2c19-sub | 0.293 |
CYP2c9-inh | 0.844 |
CYP2c9-sub | 0.916 |
CYP2d6-inh | 0.899 |
CYP2d6-sub | 0.508 |
CYP3a4-inh | 0.907 |
CYP3a4-sub | 0.392 |
CL | 2.716 |
T12 | 0.249 |
hERG | 0.139 |
Ames | 0.81 |
ROA | 0.927 |
SkinSen | 0.44 |
Carcinogencity | 0.774 |
EI | 0.416 |
Respiratory | 0.952 |
NR-Aromatase | 0.895 |
Antiviral | Yes |
Prediction | 0.688733 |