Chemoinformaics analysis of ALLOHYDROXYCITRIC ACID
Molecular Weight | 208.122 | nRot | 5 |
Heavy Atom Molecular Weight | 200.058 | nRig | 3 |
Exact Molecular Weight | 208.022 | nRing | 0 |
Solubility: LogS | -0.712 | nHRing | 0 |
Solubility: LogP | -1.602 | No. of Aliphatic Rings | 0 |
Acid Count | 3 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 22 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 14 | No. of Aromatic Carbocycles | 0 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 8 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 6 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 8 | No. of Arom Bond | 0 |
nHA | 5 | APOL | 21.7703 |
nHD | 5 | BPOL | 10.6297 |
QED | 0.239 |
Synth | 3.564 |
Natural Product Likeliness | 0.58 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.574 |
HIA | 0.287 |
CACO-2 | -6.258 |
MDCK | 0.00527266 |
BBB | 0.328 |
PPB | 0.169545 |
VDSS | 0.281 |
FU | 0.690419 |
CYP1A2-inh | 0.001 |
CYP1A2-sub | 0.053 |
CYP2c19-inh | 0.022 |
CYP2c19-sub | 0.042 |
CYP2c9-inh | 0.006 |
CYP2c9-sub | 0.547 |
CYP2d6-inh | 0.003 |
CYP2d6-sub | 0.084 |
CYP3a4-inh | 0.014 |
CYP3a4-sub | 0.003 |
CL | 1.57 |
T12 | 0.877 |
hERG | 0.003 |
Ames | 0.036 |
ROA | 0.012 |
SkinSen | 0.297 |
Carcinogencity | 0.017 |
EI | 0.983 |
Respiratory | 0.05 |
NR-Aromatase | 0.01 |
Antiviral | No |
Prediction | 0.929468 |