Chemoinformaics analysis of Carbazole
Molecular Weight | 167.211 | nRot | 0 |
Heavy Atom Molecular Weight | 158.139 | nRig | 15 |
Exact Molecular Weight | 167.074 | nRing | 3 |
Solubility: LogS | -4.265 | nHRing | 1 |
Solubility: LogP | 3.628 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 22 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 13 | No. of Aromatic Carbocycles | 2 |
nHetero | 1 | 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 | 12 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 13 |
No. of Oxygen atom | 0 | No. of Arom Bond | 15 |
nHA | 0 | APOL | 27.1411 |
nHD | 1 | BPOL | 9.59886 |
QED | 0.528 |
Synth | 1.469 |
Natural Product Likeliness | 0.058 |
NR-PPAR-gamma | 0.005 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.011 |
Pgp-sub | 0.024 |
HIA | 0.006 |
CACO-2 | -4.635 |
MDCK | 0.0000166 |
BBB | 0.742 |
PPB | 0.950438 |
VDSS | 1.316 |
FU | 0.0331322 |
CYP1A2-inh | 0.994 |
CYP1A2-sub | 0.651 |
CYP2c19-inh | 0.712 |
CYP2c19-sub | 0.256 |
CYP2c9-inh | 0.278 |
CYP2c9-sub | 0.899 |
CYP2d6-inh | 0.686 |
CYP2d6-sub | 0.913 |
CYP3a4-inh | 0.283 |
CYP3a4-sub | 0.201 |
CL | 5.367 |
T12 | 0.437 |
hERG | 0.024 |
Ames | 0.759 |
ROA | 0.134 |
SkinSen | 0.924 |
Carcinogencity | 0.81 |
EI | 0.996 |
Respiratory | 0.987 |
NR-Aromatase | 0.098 |
Antiviral | No |
Prediction | 0.604874 |