Chemoinformaics analysis of Salicifoline
Molecular Weight | 210.297 | nRot | 4 |
Heavy Atom Molecular Weight | 190.137 | nRig | 6 |
Exact Molecular Weight | 210.149 | nRing | 1 |
Solubility: LogS | 0.64 | nHRing | 0 |
Solubility: LogP | -1.659 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 35 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 15 | No. of Aromatic Carbocycles | 1 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 20 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 12 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 2 | No. of Arom Bond | 6 |
nHA | 2 | APOL | 36.0799 |
nHD | 1 | BPOL | 24.0801 |
QED | 0.766 |
Synth | 2.293 |
Natural Product Likeliness | 1.143 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.727 |
HIA | 0.94 |
CACO-2 | -5.552 |
MDCK | 0.00000765 |
BBB | 0.274 |
PPB | 0.194533 |
VDSS | 1.329 |
FU | 0.652042 |
CYP1A2-inh | 0.021 |
CYP1A2-sub | 0.947 |
CYP2c19-inh | 0.023 |
CYP2c19-sub | 0.055 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.528 |
CYP2d6-inh | 0.021 |
CYP2d6-sub | 0.934 |
CYP3a4-inh | 0.007 |
CYP3a4-sub | 0.117 |
CL | 6.113 |
T12 | 0.95 |
hERG | 0.05 |
Ames | 0.008 |
ROA | 0.317 |
SkinSen | 0.078 |
Carcinogencity | 0.026 |
EI | 0.097 |
Respiratory | 0.89 |
NR-Aromatase | 0.019 |
Antiviral | Yes |
Prediction | 0.610458 |