Chemoinformaics analysis of Glisoflavone
Molecular Weight | 368.385 | nRot | 4 |
Heavy Atom Molecular Weight | 348.225 | nRig | 19 |
Exact Molecular Weight | 368.126 | nRing | 3 |
Solubility: LogS | -3.457 | nHRing | 1 |
Solubility: LogP | 4.101 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 47 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 27 | No. of Aromatic Carbocycles | 2 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 20 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 21 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 6 | No. of Arom Bond | 17 |
nHA | 6 | APOL | 53.2179 |
nHD | 3 | BPOL | 24.4041 |
QED | 0.474 |
Synth | 2.843 |
Natural Product Likeliness | 1.967 |
NR-PPAR-gamma | 0.965 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.027 |
Pgp-sub | 0.824 |
HIA | 0.018 |
CACO-2 | -4.855 |
MDCK | 0.0000104 |
BBB | 0.008 |
PPB | 0.921945 |
VDSS | 0.718 |
FU | 0.068015 |
CYP1A2-inh | 0.906 |
CYP1A2-sub | 0.592 |
CYP2c19-inh | 0.808 |
CYP2c19-sub | 0.056 |
CYP2c9-inh | 0.836 |
CYP2c9-sub | 0.846 |
CYP2d6-inh | 0.898 |
CYP2d6-sub | 0.494 |
CYP3a4-inh | 0.47 |
CYP3a4-sub | 0.096 |
CL | 8.801 |
T12 | 0.883 |
hERG | 0.03 |
Ames | 0.037 |
ROA | 0.229 |
SkinSen | 0.944 |
Carcinogencity | 0.059 |
EI | 0.908 |
Respiratory | 0.163 |
NR-Aromatase | 0.837 |
Antiviral | Yes |
Prediction | 0.960849 |