Chemoinformaics analysis of Rhamnetin 3-rhamnoside
Molecular Weight | 462.407 | nRot | 4 |
Heavy Atom Molecular Weight | 440.231 | nRig | 24 |
Exact Molecular Weight | 462.116 | nRing | 4 |
Solubility: LogS | -4.382 | nHRing | 2 |
Solubility: LogP | 2.089 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 55 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 33 | No. of Aromatic Carbocycles | 2 |
nHetero | 11 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 22 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 11 | No. of Arom Bond | 17 |
nHA | 11 | APOL | 60.2314 |
nHD | 6 | BPOL | 29.8826 |
QED | 0.302 |
Synth | 3.955 |
Natural Product Likeliness | 1.965 |
NR-PPAR-gamma | 0.866 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.162 |
Pgp-sub | 0.989 |
HIA | 0.217 |
CACO-2 | -6.079 |
MDCK | 0.0000134 |
BBB | 0.017 |
PPB | 0.903325 |
VDSS | 0.865 |
FU | 0.120895 |
CYP1A2-inh | 0.529 |
CYP1A2-sub | 0.277 |
CYP2c19-inh | 0.039 |
CYP2c19-sub | 0.059 |
CYP2c9-inh | 0.296 |
CYP2c9-sub | 0.738 |
CYP2d6-inh | 0.35 |
CYP2d6-sub | 0.228 |
CYP3a4-inh | 0.12 |
CYP3a4-sub | 0.022 |
CL | 5.715 |
T12 | 0.784 |
hERG | 0.02 |
Ames | 0.802 |
ROA | 0.068 |
SkinSen | 0.871 |
Carcinogencity | 0.034 |
EI | 0.61 |
Respiratory | 0.076 |
NR-Aromatase | 0.852 |
Antiviral | Yes |
Prediction | 0.89951 |