Chemoinformaics analysis of RUVOSIDE
Molecular Weight | 550.689 | nRot | 5 |
Heavy Atom Molecular Weight | 504.321 | nRig | 31 |
Exact Molecular Weight | 550.314 | nRing | 6 |
Solubility: LogS | -3.442 | nHRing | 2 |
Solubility: LogP | 2.017 | No. of Aliphatic Rings | 6 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 85 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 39 | No. of Aromatic Carbocycles | 0 |
nHetero | 9 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 4 |
No. of Hydrogen atom | 46 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 30 | No. of Saturated Rings | 5 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 9 | No. of Arom Bond | 0 |
nHA | 9 | APOL | 87.9905 |
nHD | 4 | BPOL | 53.9595 |
QED | 0.35 |
Synth | 5.388 |
Natural Product Likeliness | 2.779 |
NR-PPAR-gamma | 0.233 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.02 |
Pgp-sub | 0.061 |
HIA | 0.897 |
CACO-2 | -5.351 |
MDCK | 0.0000255 |
BBB | 0.345 |
PPB | 0.950035 |
VDSS | 1.391 |
FU | 0.0412342 |
CYP1A2-inh | 0.003 |
CYP1A2-sub | 0.706 |
CYP2c19-inh | 0.004 |
CYP2c19-sub | 0.494 |
CYP2c9-inh | 0.016 |
CYP2c9-sub | 0.117 |
CYP2d6-inh | 0.003 |
CYP2d6-sub | 0.346 |
CYP3a4-inh | 0.099 |
CYP3a4-sub | 0.174 |
CL | 7.536 |
T12 | 0.072 |
hERG | 0.168 |
Ames | 0.052 |
ROA | 0.975 |
SkinSen | 0.057 |
Carcinogencity | 0.099 |
EI | 0.005 |
Respiratory | 0.944 |
NR-Aromatase | 0.862 |
Antiviral | Yes |
Prediction | 0.615894 |