Chemoinformaics analysis of Goshonoside F4
Molecular Weight | 630.772 | nRot | 11 |
Heavy Atom Molecular Weight | 576.34 | nRig | 25 |
Exact Molecular Weight | 630.362 | nRing | 4 |
Solubility: LogS | -2.171 | nHRing | 2 |
Solubility: LogP | -0.236 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 98 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 44 | No. of Aromatic Carbocycles | 0 |
nHetero | 12 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 2 |
No. of Hydrogen atom | 54 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 32 | No. of Saturated Rings | 4 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 12 | No. of Arom Bond | 0 |
nHA | 12 | APOL | 99.0708 |
nHD | 8 | BPOL | 61.1172 |
QED | 0.144 |
Synth | 5.37 |
Natural Product Likeliness | 2.249 |
NR-PPAR-gamma | 0.02 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.02 |
Pgp-sub | 0.042 |
HIA | 0.981 |
CACO-2 | -5.705 |
MDCK | 0.000183711 |
BBB | 0.21 |
PPB | 0.672634 |
VDSS | 0.427 |
FU | 0.300293 |
CYP1A2-inh | 0.001 |
CYP1A2-sub | 0.101 |
CYP2c19-inh | 0.001 |
CYP2c19-sub | 0.154 |
CYP2c9-inh | 0 |
CYP2c9-sub | 0.09 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.108 |
CYP3a4-inh | 0.011 |
CYP3a4-sub | 0.021 |
CL | 1 |
T12 | 0.258 |
hERG | 0.017 |
Ames | 0.131 |
ROA | 0.205 |
SkinSen | 0.01 |
Carcinogencity | 0.015 |
EI | 0.004 |
Respiratory | 0.028 |
NR-Aromatase | 0.559 |
Antiviral | Yes |
Prediction | 0.702426 |