Chemoinformaics analysis of EUDESMIC ACID
Molecular Weight | 212.201 | nRot | 4 |
Heavy Atom Molecular Weight | 200.105 | nRig | 7 |
Exact Molecular Weight | 212.068 | nRing | 1 |
Solubility: LogS | -2.269 | nHRing | 0 |
Solubility: LogP | 1.6 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 27 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 15 | No. of Aromatic Carbocycles | 1 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 10 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
No. of Oxygen atom | 5 | No. of Arom Bond | 6 |
nHA | 4 | APOL | 28.7115 |
nHD | 1 | BPOL | 18.1145 |
QED | 0.817 |
Synth | 1.608 |
Natural Product Likeliness | 0.328 |
NR-PPAR-gamma | 0.007 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.002 |
Pgp-sub | 0.001 |
HIA | 0.008 |
CACO-2 | -4.843 |
MDCK | 0.0000133 |
BBB | 0.756 |
PPB | 0.318197 |
VDSS | 0.392 |
FU | 0.459799 |
CYP1A2-inh | 0.04 |
CYP1A2-sub | 0.941 |
CYP2c19-inh | 0.03 |
CYP2c19-sub | 0.082 |
CYP2c9-inh | 0.017 |
CYP2c9-sub | 0.242 |
CYP2d6-inh | 0.009 |
CYP2d6-sub | 0.153 |
CYP3a4-inh | 0.011 |
CYP3a4-sub | 0.114 |
CL | 6.75 |
T12 | 0.932 |
hERG | 0.058 |
Ames | 0.009 |
ROA | 0.017 |
SkinSen | 0.157 |
Carcinogencity | 0.042 |
EI | 0.948 |
Respiratory | 0.04 |
NR-Aromatase | 0.043 |
Antiviral | No |
Prediction | 0.87786 |