Chemoinformaics analysis of HOVENOSIDE D
Molecular Weight | 1193.34 | nRot | 13 |
Heavy Atom Molecular Weight | 1100.6 | nRig | 59 |
Exact Molecular Weight | 1192.59 | nRing | 11 |
Solubility: LogS | -0.849 | nHRing | 7 |
Solubility: LogP | -0.982 | No. of Aliphatic Rings | 11 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 175 | No. of Aliphatic Hetero Cycles | 7 |
No. of Heavy Atom | 83 | No. of Aromatic Carbocycles | 0 |
nHetero | 26 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 4 |
No. of Hydrogen atom | 92 | No. of Saturated Hetero Cycles | 7 |
No. of Carbon atom | 57 | No. of Saturated Rings | 11 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 26 | No. of Arom Bond | 0 |
nHA | 26 | APOL | 177.387 |
nHD | 14 | BPOL | 113.127 |
QED | 0.064 |
Synth | 7.698 |
Natural Product Likeliness | 2.17 |
NR-PPAR-gamma | 0.654 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.981 |
Pgp-sub | 0.086 |
HIA | 1 |
CACO-2 | -6.062 |
MDCK | 0.00026001 |
BBB | 0.107 |
PPB | 0.432146 |
VDSS | -0.763 |
FU | 0.143352 |
CYP1A2-inh | 0 |
CYP1A2-sub | 0.077 |
CYP2c19-inh | 0 |
CYP2c19-sub | 0.07 |
CYP2c9-inh | 0 |
CYP2c9-sub | 0.015 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.052 |
CYP3a4-inh | 0.013 |
CYP3a4-sub | 0.002 |
CL | -0.287 |
T12 | 0.013 |
hERG | 0.007 |
Ames | 0.093 |
ROA | 0.829 |
SkinSen | 0.002 |
Carcinogencity | 0.008 |
EI | 0.001 |
Respiratory | 0.017 |
NR-Aromatase | 0.678 |
Antiviral | Yes |
Prediction | 0.874328 |