Chemoinformaics analysis of DIOXYMALONIC-ACID
Molecular Weight | 254.333 | nRot | 8 |
Heavy Atom Molecular Weight | 240.221 | nRig | 2 |
Exact Molecular Weight | 254.04 | nRing | 0 |
Solubility: LogS | -2.593 | nHRing | 0 |
Solubility: LogP | -3.79 | No. of Aliphatic Rings | 0 |
Acid Count | 2 | No. of Aromatic Rings | 0 |
Base Count | 2 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 29 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 15 | No. of Aromatic Carbocycles | 0 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 7 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 0 |
No. of Oxygen atom | 4 | No. of Arom Bond | 0 |
nHA | 6 | APOL | 32.2331 |
nHD | 4 | BPOL | 19.5609 |
QED | 0.328 |
Synth | 3.629 |
Natural Product Likeliness | 0.647 |
NR-PPAR-gamma | 0.085 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.461 |
HIA | 0.015 |
CACO-2 | -6.558 |
MDCK | 0.00000271 |
BBB | 0.183 |
PPB | 0.160277 |
VDSS | 0.412 |
FU | 0.804368 |
CYP1A2-inh | 0.005 |
CYP1A2-sub | 0.017 |
CYP2c19-inh | 0.033 |
CYP2c19-sub | 0.042 |
CYP2c9-inh | 0.102 |
CYP2c9-sub | 0.163 |
CYP2d6-inh | 0.018 |
CYP2d6-sub | 0.157 |
CYP3a4-inh | 0.023 |
CYP3a4-sub | 0.01 |
CL | 7.201 |
T12 | 0.849 |
hERG | 0.029 |
Ames | 0.01 |
ROA | 0.068 |
SkinSen | 0.221 |
Carcinogencity | 0.339 |
EI | 0.081 |
Respiratory | 0.098 |
NR-Aromatase | 0.007 |
Antiviral | No |
Prediction | 0.837218 |