Chemoinformaics analysis of Ficuisoflavone
Molecular Weight | 354.358 | nRot | 1 |
Heavy Atom Molecular Weight | 336.214 | nRig | 23 |
Exact Molecular Weight | 354.11 | nRing | 4 |
Solubility: LogS | -3.615 | nHRing | 2 |
Solubility: LogP | 3.597 | No. of Aliphatic Rings | 1 |
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 | 1 |
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 | 3 | BPOL | 22.3977 |
QED | 0.621 |
Synth | 3.251 |
Natural Product Likeliness | 2.015 |
NR-PPAR-gamma | 0.962 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.004 |
Pgp-sub | 0.979 |
HIA | 0.012 |
CACO-2 | -4.848 |
MDCK | 0.0000102 |
BBB | 0.029 |
PPB | 0.984162 |
VDSS | 0.507 |
FU | 0.0161013 |
CYP1A2-inh | 0.92 |
CYP1A2-sub | 0.408 |
CYP2c19-inh | 0.584 |
CYP2c19-sub | 0.06 |
CYP2c9-inh | 0.763 |
CYP2c9-sub | 0.883 |
CYP2d6-inh | 0.8 |
CYP2d6-sub | 0.545 |
CYP3a4-inh | 0.471 |
CYP3a4-sub | 0.186 |
CL | 6.23 |
T12 | 0.534 |
hERG | 0.041 |
Ames | 0.029 |
ROA | 0.449 |
SkinSen | 0.466 |
Carcinogencity | 0.447 |
EI | 0.068 |
Respiratory | 0.252 |
NR-Aromatase | 0.855 |
Antiviral | Yes |
Prediction | 0.759205 |