Chemoinformaics analysis of Azafluorene
Molecular Weight | 167.211 | nRot | 0 |
Heavy Atom Molecular Weight | 158.139 | nRig | 15 |
Exact Molecular Weight | 167.074 | nRing | 3 |
Solubility: LogS | -2.952 | nHRing | 1 |
Solubility: LogP | 2.734 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 22 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 13 | No. of Aromatic Carbocycles | 1 |
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 | 12 |
No. of Oxygen atom | 0 | No. of Arom Bond | 12 |
nHA | 1 | APOL | 27.1411 |
nHD | 0 | BPOL | 10.1689 |
QED | 0.501 |
Synth | 2.014 |
Natural Product Likeliness | -0.314 |
NR-PPAR-gamma | 0.811 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.021 |
Pgp-sub | 0.016 |
HIA | 0.004 |
CACO-2 | -4.499 |
MDCK | 0.0000369 |
BBB | 0.95 |
PPB | 0.86086 |
VDSS | 2.004 |
FU | 0.0973424 |
CYP1A2-inh | 0.794 |
CYP1A2-sub | 0.574 |
CYP2c19-inh | 0.725 |
CYP2c19-sub | 0.194 |
CYP2c9-inh | 0.302 |
CYP2c9-sub | 0.809 |
CYP2d6-inh | 0.065 |
CYP2d6-sub | 0.806 |
CYP3a4-inh | 0.147 |
CYP3a4-sub | 0.42 |
CL | 7.677 |
T12 | 0.443 |
hERG | 0.039 |
Ames | 0.845 |
ROA | 0.137 |
SkinSen | 0.134 |
Carcinogencity | 0.392 |
EI | 0.703 |
Respiratory | 0.887 |
NR-Aromatase | 0.082 |
Antiviral | No |
Prediction | 0.650984 |