Chemoinformaics analysis of Benzofuran
Molecular Weight | 118.135 | nRot | 0 |
Heavy Atom Molecular Weight | 112.087 | nRig | 0 |
Exact Molecular Weight | 118.042 | nRing | 2 |
Solubility: LogS | -3.293 | nHRing | 1 |
Solubility: LogP | 3.663 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 15 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 9 | No. of Aromatic Carbocycles | 1 |
nHetero | 1 | 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 | 0 | No. of Arom Atom | 9 |
No. of Oxygen atom | 1 | No. of Arom Bond | 10 |
nHA | 1 | APOL | 18.1628 |
nHD | 0 | BPOL | 7.75524 |
QED | 0.181 |
Synth | 2.186 |
Natural Product Likeliness | 0.068 |
NR-PPAR-gamma | 0.049 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.667 |
Pgp-sub | 0.003 |
HIA | 0 |
CACO-2 | -4.685 |
MDCK | 0.0000191 |
BBB | 0.002 |
PPB | 0.918019 |
VDSS | 0.698 |
FU | 0.0320187 |
CYP1A2-inh | 0.018 |
CYP1A2-sub | 0.071 |
CYP2c19-inh | 0.137 |
CYP2c19-sub | 0.051 |
CYP2c9-inh | 0.294 |
CYP2c9-sub | 0.007 |
CYP2d6-inh | 0.001 |
CYP2d6-sub | 0.005 |
CYP3a4-inh | 0.044 |
CYP3a4-sub | 0.057 |
CL | 5.772 |
T12 | 0.29 |
hERG | 0.988 |
Ames | 0.051 |
ROA | 0.061 |
SkinSen | 0.958 |
Carcinogencity | 0.583 |
EI | 0.966 |
Respiratory | 0.005 |
NR-Aromatase | 0.796 |
Antiviral | No |
Prediction | 0.772308 |