Chemoinformaics analysis of L-TARTARIC-ACID
Molecular Weight | 444.568 | nRot | 4 |
Heavy Atom Molecular Weight | 408.28 | nRig | 25 |
Exact Molecular Weight | 444.251 | nRing | 4 |
Solubility: LogS | -3.944 | nHRing | 0 |
Solubility: LogP | 2.37 | No. of Aliphatic Rings | 4 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 68 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 32 | No. of Aromatic Carbocycles | 0 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 2 |
No. of Hydrogen atom | 36 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 26 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 6 | No. of Arom Bond | 0 |
nHA | 5 | APOL | 72.2365 |
nHD | 2 | BPOL | 39.5875 |
QED | 0.702 |
Synth | 4.832 |
Natural Product Likeliness | 2.189 |
NR-PPAR-gamma | 0.799 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.448 |
Pgp-sub | 0.002 |
HIA | 0.022 |
CACO-2 | -5.426 |
MDCK | 0.0000207 |
BBB | 0.538 |
PPB | 0.664767 |
VDSS | 0.355 |
FU | 0.255039 |
CYP1A2-inh | 0.002 |
CYP1A2-sub | 0.584 |
CYP2c19-inh | 0.011 |
CYP2c19-sub | 0.926 |
CYP2c9-inh | 0.039 |
CYP2c9-sub | 0.976 |
CYP2d6-inh | 0.002 |
CYP2d6-sub | 0.285 |
CYP3a4-inh | 0.033 |
CYP3a4-sub | 0.102 |
CL | 16.397 |
T12 | 0.734 |
hERG | 0 |
Ames | 0.013 |
ROA | 0.881 |
SkinSen | 0.011 |
Carcinogencity | 0.076 |
EI | 0.058 |
Respiratory | 0.493 |
NR-Aromatase | 0.038 |
Antiviral | Yes |
Prediction | 0.817172 |