Chemoinformaics analysis of APIGENIN-7-APIOSYLGLUCOSIDE
Molecular Weight | 564.496 | nRot | 7 |
Heavy Atom Molecular Weight | 536.272 | nRig | 29 |
Exact Molecular Weight | 564.148 | nRing | 5 |
Solubility: LogS | -3.703 | nHRing | 3 |
Solubility: LogP | -0.215 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 68 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 40 | No. of Aromatic Carbocycles | 2 |
nHetero | 14 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 28 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 26 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 14 | No. of Arom Bond | 17 |
nHA | 14 | APOL | 73.3182 |
nHD | 8 | BPOL | 37.6378 |
QED | 0.164 |
Synth | 4.634 |
Natural Product Likeliness | 2.196 |
NR-PPAR-gamma | 0.945 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.001 |
Pgp-sub | 0.98 |
HIA | 0.955 |
CACO-2 | -6.25 |
MDCK | 0.0000247 |
BBB | 0.139 |
PPB | 0.816311 |
VDSS | 0.561 |
FU | 0.134151 |
CYP1A2-inh | 0.021 |
CYP1A2-sub | 0.059 |
CYP2c19-inh | 0.012 |
CYP2c19-sub | 0.056 |
CYP2c9-inh | 0.003 |
CYP2c9-sub | 0.163 |
CYP2d6-inh | 0.006 |
CYP2d6-sub | 0.161 |
CYP3a4-inh | 0.025 |
CYP3a4-sub | 0.024 |
CL | 1.524 |
T12 | 0.355 |
hERG | 0.144 |
Ames | 0.578 |
ROA | 0.027 |
SkinSen | 0.071 |
Carcinogencity | 0.783 |
EI | 0.01 |
Respiratory | 0.019 |
NR-Aromatase | 0.956 |
Antiviral | Yes |
Prediction | 0.867874 |