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ENAMINE-ZINC02656367

 MMsINC code: MMs01279192
Type: Neutral
Formula: C5H12N2O2
SMILES:   O(CC(NC(=O)N)C)C
InChI:   InChI=1/C5H12N2O2/c1-4(3-9-2)7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=-14.6569 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 132.163 g/mol  logS: -0.18017  SlogP: -0.3104  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12033  Sterimol/B1: 2.28634  Sterimol/B2: 2.38611  Sterimol/B3: 3.61758
  Sterimol/B4: 5.10074  Sterimol/L: 10.7422 
 
 Surface and Volume Properties
  Accessible surface: 330.917  Positive charged surface: 271.056  Negative charged surface: 59.8607  Volume: 133.25
  Hydrophobic surface: 186.339  Hydrophilic surface: 144.578
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.