Chemoinformaics analysis of ISOLICOFLAVONOL
Molecular Weight | 354.358 | nRot | 3 |
Heavy Atom Molecular Weight | 336.214 | nRig | 19 |
Exact Molecular Weight | 354.11 | nRing | 3 |
Solubility: LogS | -3.39 | nHRing | 1 |
Solubility: LogP | 4.463 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 44 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 26 | No. of Aromatic Carbocycles | 2 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 18 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 20 | 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 | 50.2143 |
nHD | 4 | BPOL | 20.6617 |
QED | 0.533 |
Synth | 2.768 |
Natural Product Likeliness | 2.025 |
NR-PPAR-gamma | 0.975 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.019 |
Pgp-sub | 0.102 |
HIA | 0.011 |
CACO-2 | -4.956 |
MDCK | 0.0000122 |
BBB | 0.007 |
PPB | 0.974999 |
VDSS | 0.609 |
FU | 0.0406723 |
CYP1A2-inh | 0.952 |
CYP1A2-sub | 0.148 |
CYP2c19-inh | 0.737 |
CYP2c19-sub | 0.049 |
CYP2c9-inh | 0.775 |
CYP2c9-sub | 0.776 |
CYP2d6-inh | 0.841 |
CYP2d6-sub | 0.26 |
CYP3a4-inh | 0.462 |
CYP3a4-sub | 0.077 |
CL | 7.588 |
T12 | 0.844 |
hERG | 0.025 |
Ames | 0.529 |
ROA | 0.133 |
SkinSen | 0.859 |
Carcinogencity | 0.075 |
EI | 0.912 |
Respiratory | 0.103 |
NR-Aromatase | 0.933 |
Antiviral | Yes |
Prediction | 0.887734 |