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ASINEX-ZINC02412724

 MMsINC code: MMs00270981
Type: Neutral
Formula: C10H12N2O4
SMILES:   O(C(=O)CNC(=O)c1cc([O-])c[nH+]c1)CC
InChI:   InChI=1/C10H12N2O4/c1-2-16-9(14)6-12-10(15)7-3-8(13)5-11-4-7/h3-5,13H,2,6H2,1H3,(H,12,15)

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Potential Energy
Epot(MMFF94)=33.882 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.216 g/mol  logS: -0.88236  SlogP: -0.0626  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0108282  Sterimol/B1: 2.37759  Sterimol/B2: 2.37767  Sterimol/B3: 4.06667
  Sterimol/B4: 5.06605  Sterimol/L: 15.6991 
 
 Surface and Volume Properties
  Accessible surface: 449.342  Positive charged surface: 301.356  Negative charged surface: 147.986  Volume: 203.375
  Hydrophobic surface: 225.42  Hydrophilic surface: 223.922
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 1  Basic groups: 1
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.