Chemoinformaics analysis of DIHYDROMYRICETIN
Molecular Weight | 320.253 | nRot | 1 |
Heavy Atom Molecular Weight | 308.157 | nRig | 18 |
Exact Molecular Weight | 320.053 | nRing | 3 |
Solubility: LogS | -2.312 | nHRing | 1 |
Solubility: LogP | 0.11 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 35 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 2 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 15 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 8 | No. of Arom Bond | 12 |
nHA | 8 | APOL | 39.4675 |
nHD | 6 | BPOL | 14.6425 |
QED | 0.425 |
Synth | 3.718 |
Natural Product Likeliness | 1.638 |
NR-PPAR-gamma | 0.568 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.005 |
Pgp-sub | 0.02 |
HIA | 0.017 |
CACO-2 | -6.338 |
MDCK | 0.00000394 |
BBB | 0.023 |
PPB | 0.874216 |
VDSS | 0.595 |
FU | 0.13105 |
CYP1A2-inh | 0.029 |
CYP1A2-sub | 0.089 |
CYP2c19-inh | 0.021 |
CYP2c19-sub | 0.051 |
CYP2c9-inh | 0.291 |
CYP2c9-sub | 0.538 |
CYP2d6-inh | 0.035 |
CYP2d6-sub | 0.201 |
CYP3a4-inh | 0.098 |
CYP3a4-sub | 0.185 |
CL | 8.145 |
T12 | 0.882 |
hERG | 0.163 |
Ames | 0.389 |
ROA | 0.084 |
SkinSen | 0.95 |
Carcinogencity | 0.032 |
EI | 0.909 |
Respiratory | 0.238 |
NR-Aromatase | 0.539 |
Antiviral | Yes |
Prediction | 0.792458 |