Chemoinformaics analysis of Eriobofuran
Molecular Weight | 244.246 | nRot | 2 |
Heavy Atom Molecular Weight | 232.15 | nRig | 15 |
Exact Molecular Weight | 244.074 | nRing | 3 |
Solubility: LogS | -4.146 | nHRing | 1 |
Solubility: LogP | 3.101 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 30 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 18 | No. of Aromatic Carbocycles | 2 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 14 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 13 |
No. of Oxygen atom | 4 | No. of Arom Bond | 15 |
nHA | 4 | APOL | 34.5895 |
nHD | 1 | BPOL | 17.2465 |
QED | 0.751 |
Synth | 2.104 |
Natural Product Likeliness | 0.892 |
NR-PPAR-gamma | 0.921 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.148 |
Pgp-sub | 0.003 |
HIA | 0.006 |
CACO-2 | -4.862 |
MDCK | 0.0000359 |
BBB | 0.144 |
PPB | 0.905807 |
VDSS | 0.692 |
FU | 0.131495 |
CYP1A2-inh | 0.979 |
CYP1A2-sub | 0.968 |
CYP2c19-inh | 0.702 |
CYP2c19-sub | 0.813 |
CYP2c9-inh | 0.557 |
CYP2c9-sub | 0.866 |
CYP2d6-inh | 0.518 |
CYP2d6-sub | 0.894 |
CYP3a4-inh | 0.463 |
CYP3a4-sub | 0.413 |
CL | 10.355 |
T12 | 0.749 |
hERG | 0.015 |
Ames | 0.683 |
ROA | 0.582 |
SkinSen | 0.706 |
Carcinogencity | 0.797 |
EI | 0.626 |
Respiratory | 0.744 |
NR-Aromatase | 0.846 |
Antiviral | Yes |
Prediction | 0.691564 |