Chemoinformaics analysis of d-(+)-tartaric acid
Molecular Weight | 150.086 | nRot | 3 |
Heavy Atom Molecular Weight | 144.038 | nRig | 2 |
Exact Molecular Weight | 150.016 | nRing | 0 |
Solubility: LogS | -0.439 | nHRing | 0 |
Solubility: LogP | -1.786 | No. of Aliphatic Rings | 0 |
Acid Count | 2 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 16 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 10 | No. of Aromatic Carbocycles | 0 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 6 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 4 | 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 | 4 | APOL | 15.4928 |
nHD | 4 | BPOL | 7.75524 |
QED | 0.248 |
Synth | 3.397 |
Natural Product Likeliness | 0.284 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.058 |
HIA | 0.7 |
CACO-2 | -5.677 |
MDCK | 0.00882976 |
BBB | 0.662 |
PPB | 0.143445 |
VDSS | 0.268 |
FU | 0.786503 |
CYP1A2-inh | 0.007 |
CYP1A2-sub | 0.048 |
CYP2c19-inh | 0.021 |
CYP2c19-sub | 0.077 |
CYP2c9-inh | 0.005 |
CYP2c9-sub | 0.044 |
CYP2d6-inh | 0.003 |
CYP2d6-sub | 0.103 |
CYP3a4-inh | 0.008 |
CYP3a4-sub | 0.021 |
CL | 1.498 |
T12 | 0.775 |
hERG | 0.01 |
Ames | 0.02 |
ROA | 0.027 |
SkinSen | 0.741 |
Carcinogencity | 0.005 |
EI | 0.991 |
Respiratory | 0.888 |
NR-Aromatase | 0.005 |
Antiviral | No |
Prediction | 0.943667 |