Chemoinformaics analysis of Salidroside
Molecular Weight | 300.307 | nRot | 5 |
Heavy Atom Molecular Weight | 280.147 | nRig | 2 |
Exact Molecular Weight | 300.121 | nRing | 2 |
Solubility: LogS | -0.189 | nHRing | 1 |
Solubility: LogP | -2.195 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 41 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 1 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 20 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 14 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
No. of Oxygen atom | 7 | No. of Arom Bond | 6 |
nHA | 7 | APOL | 42.3299 |
nHD | 5 | BPOL | 23.5361 |
QED | 0.453 |
Synth | 2.439 |
Natural Product Likeliness | -0.329 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.001 |
Pgp-sub | 0.024 |
HIA | 0.012 |
CACO-2 | -6.256 |
MDCK | 0.00371388 |
BBB | 0.623 |
PPB | 0.100537 |
VDSS | 0.435 |
FU | 0.85418 |
CYP1A2-inh | 0.005 |
CYP1A2-sub | 0.071 |
CYP2c19-inh | 0.04 |
CYP2c19-sub | 0.05 |
CYP2c9-inh | 0.035 |
CYP2c9-sub | 0.287 |
CYP2d6-inh | 0.006 |
CYP2d6-sub | 0.128 |
CYP3a4-inh | 0.007 |
CYP3a4-sub | 0.021 |
CL | 2.81 |
T12 | 0.874 |
hERG | 0.012 |
Ames | 0.01 |
ROA | 0.007 |
SkinSen | 0.29 |
Carcinogencity | 0.01 |
EI | 0.105 |
Respiratory | 0.133 |
NR-Aromatase | 0.006 |
Antiviral | Yes |
Prediction | 0.834264 |