Chemoinformaics analysis of ARABIC-ACID
Molecular Weight | 166.129 | nRot | 4 |
Heavy Atom Molecular Weight | 156.049 | nRig | 1 |
Exact Molecular Weight | 166.048 | nRing | 0 |
Solubility: LogS | -0.037 | nHRing | 0 |
Solubility: LogP | -2.391 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 21 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 0 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 10 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 5 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 6 | No. of Arom Bond | 0 |
nHA | 5 | APOL | 19.8299 |
nHD | 5 | BPOL | 10.9001 |
QED | 0.277 |
Synth | 3.92 |
Natural Product Likeliness | 1.345 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.005 |
Pgp-sub | 0.274 |
HIA | 0.137 |
CACO-2 | -5.32 |
MDCK | 0.00624336 |
BBB | 0.609 |
PPB | 0.113807 |
VDSS | 0.862 |
FU | 0.825937 |
CYP1A2-inh | 0.007 |
CYP1A2-sub | 0.033 |
CYP2c19-inh | 0.011 |
CYP2c19-sub | 0.057 |
CYP2c9-inh | 0.002 |
CYP2c9-sub | 0.077 |
CYP2d6-inh | 0.002 |
CYP2d6-sub | 0.094 |
CYP3a4-inh | 0.004 |
CYP3a4-sub | 0.009 |
CL | 1.241 |
T12 | 0.935 |
hERG | 0.168 |
Ames | 0.057 |
ROA | 0.007 |
SkinSen | 0.081 |
Carcinogencity | 0.006 |
EI | 0.018 |
Respiratory | 0.037 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.888724 |