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NCID-ZINC05572792

 MMsINC code: MMs02476432
Type: Neutral
Formula: C7H8N2O4
SMILES:   O1CCC(C2NC(=O)NC2=O)C1=O
InChI:   InChI=1/C7H8N2O4/c10-5-4(8-7(12)9-5)3-1-2-13-6(3)11/h3-4H,1-2H2,(H2,8,9,10,12)/t3-,4-/m0/s1

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Potential Energy
Epot(MMFF94)=-3.84061 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.151 g/mol  logS: -0.65574  SlogP: -1.2425  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0928339  Sterimol/B1: 2.48647  Sterimol/B2: 2.81831  Sterimol/B3: 3.16036
  Sterimol/B4: 5.26602  Sterimol/L: 10.282 
 
 Surface and Volume Properties
  Accessible surface: 332.094  Positive charged surface: 217.004  Negative charged surface: 115.09  Volume: 148.625
  Hydrophobic surface: 125.362  Hydrophilic surface: 206.732
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.