Chemoinformaics analysis of SUCCINIMIDE
Molecular Weight | 99.089 | nRot | 0 |
Heavy Atom Molecular Weight | 94.049 | nRig | 5 |
Exact Molecular Weight | 99.032 | nRing | 1 |
Solubility: LogS | -1.39 | nHRing | 1 |
Solubility: LogP | 0.081 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 12 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 7 | No. of Aromatic Carbocycles | 0 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 5 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 4 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 12.718 |
nHD | 1 | BPOL | 7.32203 |
QED | 0.441 |
Synth | 3.817 |
Natural Product Likeliness | 0.282 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.001 |
Pgp-sub | 0.003 |
HIA | 0.014 |
CACO-2 | -5.096 |
MDCK | 0.00000838 |
BBB | 0.066 |
PPB | 0.271359 |
VDSS | 0.976 |
FU | 0.706037 |
CYP1A2-inh | 0.017 |
CYP1A2-sub | 0.188 |
CYP2c19-inh | 0.034 |
CYP2c19-sub | 0.054 |
CYP2c9-inh | 0.012 |
CYP2c9-sub | 0.921 |
CYP2d6-inh | 0.01 |
CYP2d6-sub | 0.719 |
CYP3a4-inh | 0.01 |
CYP3a4-sub | 0.081 |
CL | 11.409 |
T12 | 0.881 |
hERG | 0.009 |
Ames | 0.186 |
ROA | 0.658 |
SkinSen | 0.094 |
Carcinogencity | 0.703 |
EI | 0.654 |
Respiratory | 0.717 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.978877 |