Chemoinformaics analysis of RESVERATROLOSIDE
Molecular Weight | 390.388 | nRot | 5 |
Heavy Atom Molecular Weight | 368.212 | nRig | 19 |
Exact Molecular Weight | 390.131 | nRing | 3 |
Solubility: LogS | -2.104 | nHRing | 1 |
Solubility: LogP | 1.076 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 50 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 28 | No. of Aromatic Carbocycles | 2 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 20 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 8 | No. of Arom Bond | 12 |
nHA | 8 | APOL | 54.4854 |
nHD | 6 | BPOL | 25.5426 |
QED | 0.405 |
Synth | 3.666 |
Natural Product Likeliness | 1.566 |
NR-PPAR-gamma | 0.01 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.434 |
HIA | 0.646 |
CACO-2 | -5.842 |
MDCK | 0.0000153 |
BBB | 0.579 |
PPB | 0.959981 |
VDSS | 1.283 |
FU | 0.0409887 |
CYP1A2-inh | 0.12 |
CYP1A2-sub | 0.039 |
CYP2c19-inh | 0.024 |
CYP2c19-sub | 0.066 |
CYP2c9-inh | 0.004 |
CYP2c9-sub | 0.794 |
CYP2d6-inh | 0.018 |
CYP2d6-sub | 0.802 |
CYP3a4-inh | 0.169 |
CYP3a4-sub | 0.039 |
CL | 7.659 |
T12 | 0.621 |
hERG | 0.224 |
Ames | 0.372 |
ROA | 0.086 |
SkinSen | 0.781 |
Carcinogencity | 0.373 |
EI | 0.011 |
Respiratory | 0.106 |
NR-Aromatase | 0.557 |
Antiviral | Yes |
Prediction | 0.602532 |