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NCID-ZINC01732820

 MMsINC code: MMs02355441
Type: Ionized
Formula: C5H8N2O4-2
SMILES:   O=C([O-])CNCNCC(=O)[O-]
InChI:   InChI=1/C5H10N2O4/c8-4(9)1-6-3-7-2-5(10)11/h6-7H,1-3H2,(H,8,9)(H,10,11)/p-2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.948 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.129 g/mol  logS: 0.6575  SlogP: -4.3771  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117704  Sterimol/B1: 2.68508  Sterimol/B2: 3.15921  Sterimol/B3: 3.24561
  Sterimol/B4: 3.3034  Sterimol/L: 11.7246 
 
 Surface and Volume Properties
  Accessible surface: 333.196  Positive charged surface: 178.95  Negative charged surface: 154.246  Volume: 134.375
  Hydrophobic surface: 110.279  Hydrophilic surface: 222.917
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 4  Basic groups: 0
  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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MMs02355440
NCID-ZINC01732820