Chemoinformaics analysis of Glyfoline
Molecular Weight | 361.35 | nRot | 4 |
Heavy Atom Molecular Weight | 342.198 | nRig | 17 |
Exact Molecular Weight | 361.116 | nRing | 3 |
Solubility: LogS | -4.015 | nHRing | 1 |
Solubility: LogP | 1.948 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 45 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 26 | No. of Aromatic Carbocycles | 2 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 19 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 18 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 14 |
No. of Oxygen atom | 7 | No. of Arom Bond | 16 |
nHA | 8 | APOL | 49.4431 |
nHD | 2 | BPOL | 28.5829 |
QED | 0.687 |
Synth | 2.78 |
Natural Product Likeliness | 1.346 |
NR-PPAR-gamma | 0.379 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.462 |
Pgp-sub | 0.002 |
HIA | 0.173 |
CACO-2 | -4.972 |
MDCK | 0.0000245 |
BBB | 0.028 |
PPB | 0.862167 |
VDSS | 0.665 |
FU | 0.193032 |
CYP1A2-inh | 0.528 |
CYP1A2-sub | 0.984 |
CYP2c19-inh | 0.102 |
CYP2c19-sub | 0.869 |
CYP2c9-inh | 0.458 |
CYP2c9-sub | 0.849 |
CYP2d6-inh | 0.052 |
CYP2d6-sub | 0.452 |
CYP3a4-inh | 0.345 |
CYP3a4-sub | 0.577 |
CL | 2.22 |
T12 | 0.452 |
hERG | 0.044 |
Ames | 0.436 |
ROA | 0.647 |
SkinSen | 0.382 |
Carcinogencity | 0.224 |
EI | 0.897 |
Respiratory | 0.416 |
NR-Aromatase | 0.734 |
Antiviral | Yes |
Prediction | 0.72373 |