Chemoinformaics analysis of fuberidazole
Molecular Weight | 184.198 | nRot | 1 |
Heavy Atom Molecular Weight | 176.134 | nRig | 15 |
Exact Molecular Weight | 184.064 | nRing | 3 |
Solubility: LogS | -3.473 | nHRing | 2 |
Solubility: LogP | 2.58 | 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 | 14 | No. of Aromatic Carbocycles | 1 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 8 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 11 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 14 |
No. of Oxygen atom | 1 | No. of Arom Bond | 15 |
nHA | 2 | APOL | 26.7063 |
nHD | 1 | BPOL | 11.4717 |
QED | 0.631 |
Synth | 1.955 |
Natural Product Likeliness | -1.522 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.018 |
Pgp-sub | 0.005 |
HIA | 0.006 |
CACO-2 | -4.692 |
MDCK | 0.0000248 |
BBB | 0.882 |
PPB | 0.957477 |
VDSS | 1.767 |
FU | 0.0530461 |
CYP1A2-inh | 0.997 |
CYP1A2-sub | 0.773 |
CYP2c19-inh | 0.857 |
CYP2c19-sub | 0.069 |
CYP2c9-inh | 0.13 |
CYP2c9-sub | 0.343 |
CYP2d6-inh | 0.395 |
CYP2d6-sub | 0.246 |
CYP3a4-inh | 0.196 |
CYP3a4-sub | 0.246 |
CL | 6.968 |
T12 | 0.802 |
hERG | 0.041 |
Ames | 0.233 |
ROA | 0.833 |
SkinSen | 0.057 |
Carcinogencity | 0.678 |
EI | 0.982 |
Respiratory | 0.965 |
NR-Aromatase | 0.059 |
Antiviral | No |
Prediction | 0.66933 |