Chemoinformaics analysis of Naringenin 7-O-Beta- Glucoside
Molecular Weight | 476.434 | nRot | 5 |
Heavy Atom Molecular Weight | 452.242 | nRig | 25 |
Exact Molecular Weight | 476.132 | nRing | 4 |
Solubility: LogS | -4.226 | nHRing | 2 |
Solubility: LogP | 1.057 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 58 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 34 | No. of Aromatic Carbocycles | 2 |
nHetero | 11 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 24 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 23 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 11 | No. of Arom Bond | 12 |
nHA | 11 | APOL | 63.235 |
nHD | 5 | BPOL | 32.757 |
QED | 0.382 |
Synth | 4.074 |
Natural Product Likeliness | 2.11 |
NR-PPAR-gamma | 0.93 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.003 |
Pgp-sub | 0.413 |
HIA | 0.834 |
CACO-2 | -6.354 |
MDCK | 0.000036 |
BBB | 0.383 |
PPB | 0.80626 |
VDSS | 0.477 |
FU | 0.227863 |
CYP1A2-inh | 0.025 |
CYP1A2-sub | 0.039 |
CYP2c19-inh | 0.058 |
CYP2c19-sub | 0.082 |
CYP2c9-inh | 0.028 |
CYP2c9-sub | 0.809 |
CYP2d6-inh | 0.252 |
CYP2d6-sub | 0.256 |
CYP3a4-inh | 0.103 |
CYP3a4-sub | 0.172 |
CL | 4.266 |
T12 | 0.373 |
hERG | 0.028 |
Ames | 0.507 |
ROA | 0.218 |
SkinSen | 0.068 |
Carcinogencity | 0.855 |
EI | 0.023 |
Respiratory | 0.044 |
NR-Aromatase | 0.046 |
Antiviral | Yes |
Prediction | 0.800909 |