Chemoinformaics analysis of QUERCETIN-7-O-BETA-D-GLUCOPYRANOSIDE-BETA-L-RHAMNOPYRANOSIDE
Molecular Weight | 610.521 | nRot | 6 |
Heavy Atom Molecular Weight | 580.281 | nRig | 30 |
Exact Molecular Weight | 610.153 | nRing | 5 |
Solubility: LogS | -3.714 | nHRing | 3 |
Solubility: LogP | -0.58 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 73 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 43 | No. of Aromatic Carbocycles | 2 |
nHetero | 16 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 30 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 27 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 16 | No. of Arom Bond | 17 |
nHA | 16 | APOL | 77.9258 |
nHD | 10 | BPOL | 39.6442 |
QED | 0.14 |
Synth | 4.784 |
Natural Product Likeliness | 2.096 |
NR-PPAR-gamma | 0.958 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.002 |
Pgp-sub | 0.981 |
HIA | 0.936 |
CACO-2 | -6.382 |
MDCK | 0.0000577 |
BBB | 0.086 |
PPB | 0.837209 |
VDSS | 0.685 |
FU | 0.118752 |
CYP1A2-inh | 0.014 |
CYP1A2-sub | 0.021 |
CYP2c19-inh | 0.008 |
CYP2c19-sub | 0.051 |
CYP2c9-inh | 0.002 |
CYP2c9-sub | 0.108 |
CYP2d6-inh | 0.005 |
CYP2d6-sub | 0.147 |
CYP3a4-inh | 0.015 |
CYP3a4-sub | 0.004 |
CL | 1.515 |
T12 | 0.52 |
hERG | 0.011 |
Ames | 0.832 |
ROA | 0.049 |
SkinSen | 0.034 |
Carcinogencity | 0.323 |
EI | 0.006 |
Respiratory | 0.018 |
NR-Aromatase | 0.943 |
Antiviral | Yes |
Prediction | 0.805032 |