Chemoinformaics analysis of STANSIOSIDE
Molecular Weight | 360.359 | nRot | 4 |
Heavy Atom Molecular Weight | 336.167 | nRig | 17 |
Exact Molecular Weight | 360.142 | nRing | 3 |
Solubility: LogS | -1.053 | nHRing | 2 |
Solubility: LogP | -1.024 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 49 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 25 | No. of Aromatic Carbocycles | 0 |
nHetero | 9 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 24 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 16 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 9 | No. of Arom Bond | 0 |
nHA | 9 | APOL | 49.941 |
nHD | 5 | BPOL | 30.153 |
QED | 0.36 |
Synth | 4.945 |
Natural Product Likeliness | 3.113 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.071 |
HIA | 0.929 |
CACO-2 | -5.752 |
MDCK | 0.000195967 |
BBB | 0.462 |
PPB | 0.214278 |
VDSS | 0.349 |
FU | 0.696194 |
CYP1A2-inh | 0.004 |
CYP1A2-sub | 0.08 |
CYP2c19-inh | 0.009 |
CYP2c19-sub | 0.384 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.121 |
CYP2d6-inh | 0.001 |
CYP2d6-sub | 0.114 |
CYP3a4-inh | 0.007 |
CYP3a4-sub | 0.062 |
CL | 1.421 |
T12 | 0.451 |
hERG | 0.029 |
Ames | 0.501 |
ROA | 0.166 |
SkinSen | 0.036 |
Carcinogencity | 0.955 |
EI | 0.008 |
Respiratory | 0.841 |
NR-Aromatase | 0.008 |
Antiviral | Yes |
Prediction | 0.769677 |