Chemoinformaics analysis of 8-Methoxyquindoline
Molecular Weight | 159.188 | nRot | 1 |
Heavy Atom Molecular Weight | 150.116 | nRig | 11 |
Exact Molecular Weight | 159.068 | nRing | 2 |
Solubility: LogS | -1.604 | nHRing | 1 |
Solubility: LogP | 1.868 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 21 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 12 | No. of Aromatic Carbocycles | 1 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 9 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 10 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 10 |
No. of Oxygen atom | 1 | No. of Arom Bond | 11 |
nHA | 2 | APOL | 24.6031 |
nHD | 0 | BPOL | 11.9049 |
QED | 0.636 |
Synth | 1.548 |
Natural Product Likeliness | -0.946 |
NR-PPAR-gamma | 0.464 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.003 |
Pgp-sub | 0.004 |
HIA | 0.003 |
CACO-2 | -4.394 |
MDCK | 0.0000312 |
BBB | 0.886 |
PPB | 0.874642 |
VDSS | 1.404 |
FU | 0.102705 |
CYP1A2-inh | 0.959 |
CYP1A2-sub | 0.942 |
CYP2c19-inh | 0.804 |
CYP2c19-sub | 0.828 |
CYP2c9-inh | 0.19 |
CYP2c9-sub | 0.86 |
CYP2d6-inh | 0.051 |
CYP2d6-sub | 0.883 |
CYP3a4-inh | 0.13 |
CYP3a4-sub | 0.347 |
CL | 7.893 |
T12 | 0.704 |
hERG | 0.073 |
Ames | 0.676 |
ROA | 0.3 |
SkinSen | 0.567 |
Carcinogencity | 0.76 |
EI | 0.969 |
Respiratory | 0.925 |
NR-Aromatase | 0.092 |
Antiviral | No |
Prediction | 0.745935 |