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ENAMINE-ZINC00393727

 MMsINC code: MMs01229743
Type: Neutral
Formula: C6H10N2O2
SMILES:   O=C1NC(=O)NC1C(C)C
InChI:   InChI=1/C6H10N2O2/c1-3(2)4-5(9)8-6(10)7-4/h3-4H,1-2H3,(H2,7,8,9,10)/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=-5.46149 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.158 g/mol  logS: -0.87123  SlogP: -0.1496  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127877  Sterimol/B1: 2.3756  Sterimol/B2: 2.81766  Sterimol/B3: 3.15413
  Sterimol/B4: 5.3806  Sterimol/L: 9.18796 
 
 Surface and Volume Properties
  Accessible surface: 309.708  Positive charged surface: 197.654  Negative charged surface: 112.054  Volume: 131.125
  Hydrophobic surface: 118.22  Hydrophilic surface: 191.488
 
 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.