Chemoinformaics analysis of SUCCINATES
Molecular Weight | 116.072 | nRot | 3 |
Heavy Atom Molecular Weight | 112.04 | nRig | 2 |
Exact Molecular Weight | 116.012 | nRing | 0 |
Solubility: LogS | -0.332 | nHRing | 0 |
Solubility: LogP | -0.439 | No. of Aliphatic Rings | 0 |
Acid Count | 2 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 12 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 8 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 4 | 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 | 4 | No. of Arom Bond | 0 |
nHA | 4 | APOL | 12.5552 |
nHD | 0 | BPOL | 7.48483 |
QED | 0.544 |
Synth | 1.608 |
Natural Product Likeliness | 0.376 |
NR-PPAR-gamma | 0.377 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.009 |
HIA | 0.021 |
CACO-2 | -5.903 |
MDCK | 0.00287197 |
BBB | 0.254 |
PPB | 0.317282 |
VDSS | 0.253 |
FU | 0.574404 |
CYP1A2-inh | 0.005 |
CYP1A2-sub | 0.041 |
CYP2c19-inh | 0.026 |
CYP2c19-sub | 0.042 |
CYP2c9-inh | 0.006 |
CYP2c9-sub | 0.883 |
CYP2d6-inh | 0.013 |
CYP2d6-sub | 0.12 |
CYP3a4-inh | 0.011 |
CYP3a4-sub | 0.005 |
CL | 4.976 |
T12 | 0.842 |
hERG | 0.004 |
Ames | 0.021 |
ROA | 0.007 |
SkinSen | 0.147 |
Carcinogencity | 0.054 |
EI | 0.985 |
Respiratory | 0.024 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.938183 |