Chemoinformaics analysis of PARASORBOSIDE
Molecular Weight | 292.284 | nRot | 3 |
Heavy Atom Molecular Weight | 272.124 | nRig | 13 |
Exact Molecular Weight | 292.116 | nRing | 2 |
Solubility: LogS | -0.296 | nHRing | 2 |
Solubility: LogP | -1.673 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 40 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 20 | No. of Aromatic Carbocycles | 0 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 20 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 12 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 8 | No. of Arom Bond | 0 |
nHA | 8 | APOL | 39.7919 |
nHD | 4 | BPOL | 26.1401 |
QED | 0.436 |
Synth | 4.137 |
Natural Product Likeliness | 2.554 |
NR-PPAR-gamma | 0.101 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.166 |
HIA | 0.63 |
CACO-2 | -5.657 |
MDCK | 0.000225022 |
BBB | 0.436 |
PPB | 0.147393 |
VDSS | 0.369 |
FU | 0.700502 |
CYP1A2-inh | 0.004 |
CYP1A2-sub | 0.047 |
CYP2c19-inh | 0.009 |
CYP2c19-sub | 0.303 |
CYP2c9-inh | 0 |
CYP2c9-sub | 0.249 |
CYP2d6-inh | 0.002 |
CYP2d6-sub | 0.144 |
CYP3a4-inh | 0.008 |
CYP3a4-sub | 0.046 |
CL | 2.083 |
T12 | 0.663 |
hERG | 0.007 |
Ames | 0.387 |
ROA | 0.051 |
SkinSen | 0.036 |
Carcinogencity | 0.823 |
EI | 0.013 |
Respiratory | 0.025 |
NR-Aromatase | 0.007 |
Antiviral | Yes |
Prediction | 0.709578 |