Chemoinformaics analysis of Artapshin
Molecular Weight | 266.337 | nRot | 0 |
Heavy Atom Molecular Weight | 244.161 | nRig | 17 |
Exact Molecular Weight | 266.152 | nRing | 3 |
Solubility: LogS | -1.923 | nHRing | 1 |
Solubility: LogP | 1.111 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 41 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 19 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 2 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 15 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 4 | No. of Arom Bond | 0 |
nHA | 4 | APOL | 42.9274 |
nHD | 2 | BPOL | 24.6746 |
QED | 0.512 |
Synth | 4.726 |
Natural Product Likeliness | 3.629 |
NR-PPAR-gamma | 0.005 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.015 |
HIA | 0.2 |
CACO-2 | -4.796 |
MDCK | 0.000291182 |
BBB | 0.901 |
PPB | 0.366673 |
VDSS | 0.944 |
FU | 0.695315 |
CYP1A2-inh | 0.028 |
CYP1A2-sub | 0.171 |
CYP2c19-inh | 0.011 |
CYP2c19-sub | 0.513 |
CYP2c9-inh | 0.005 |
CYP2c9-sub | 0.149 |
CYP2d6-inh | 0.004 |
CYP2d6-sub | 0.284 |
CYP3a4-inh | 0.029 |
CYP3a4-sub | 0.253 |
CL | 12.855 |
T12 | 0.17 |
hERG | 0.013 |
Ames | 0.019 |
ROA | 0.825 |
SkinSen | 0.041 |
Carcinogencity | 0.049 |
EI | 0.012 |
Respiratory | 0.853 |
NR-Aromatase | 0.005 |
Antiviral | Yes |
Prediction | 0.732512 |