Chemoinformaics analysis of Salvicin
Molecular Weight | 336.472 | nRot | 5 |
Heavy Atom Molecular Weight | 304.216 | nRig | 13 |
Exact Molecular Weight | 336.23 | nRing | 2 |
Solubility: LogS | -3.626 | nHRing | 0 |
Solubility: LogP | 2.528 | No. of Aliphatic Rings | 2 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 56 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 24 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 32 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 20 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 4 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 57.9454 |
nHD | 3 | BPOL | 32.9706 |
QED | 0.671 |
Synth | 4.505 |
Natural Product Likeliness | 3.495 |
NR-PPAR-gamma | 0.151 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.053 |
Pgp-sub | 0.157 |
HIA | 0.236 |
CACO-2 | -5.188 |
MDCK | 0.0000206 |
BBB | 0.722 |
PPB | 0.852833 |
VDSS | 0.339 |
FU | 0.159766 |
CYP1A2-inh | 0.028 |
CYP1A2-sub | 0.168 |
CYP2c19-inh | 0.013 |
CYP2c19-sub | 0.492 |
CYP2c9-inh | 0.023 |
CYP2c9-sub | 0.45 |
CYP2d6-inh | 0.006 |
CYP2d6-sub | 0.187 |
CYP3a4-inh | 0.032 |
CYP3a4-sub | 0.127 |
CL | 5.561 |
T12 | 0.914 |
hERG | 0.032 |
Ames | 0.003 |
ROA | 0.853 |
SkinSen | 0.959 |
Carcinogencity | 0.034 |
EI | 0.692 |
Respiratory | 0.964 |
NR-Aromatase | 0.613 |
Antiviral | Yes |
Prediction | 0.728442 |