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NCID-ZINC05339209

 MMsINC code: MMs02452324
Type: Neutral
Formula: C7H10N2O4
SMILES:   O1N(C(=O)C)C(=O)C(NC(=O)C)C1
InChI:   InChI=1/C7H10N2O4/c1-4(10)8-6-3-13-9(5(2)11)7(6)12/h6H,3H2,1-2H3,(H,8,10)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=41.3632 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.167 g/mol  logS: -0.63512  SlogP: -1.1886  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118236  Sterimol/B1: 2.15227  Sterimol/B2: 2.85033  Sterimol/B3: 4.11907
  Sterimol/B4: 4.79341  Sterimol/L: 12.2974 
 
 Surface and Volume Properties
  Accessible surface: 372.932  Positive charged surface: 233.698  Negative charged surface: 139.234  Volume: 161.625
  Hydrophobic surface: 237.443  Hydrophilic surface: 135.489
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.