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ENAMINE-ZINC03282602

 MMsINC code: MMs01348829
Type: Neutral
Formula: C7H10N2O3
SMILES:   O=C1N(CC(C)C)C(=O)NC1=O
InChI:   InChI=1/C7H10N2O3/c1-4(2)3-9-6(11)5(10)8-7(9)12/h4H,3H2,1-2H3,(H,8,10,12)

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Potential Energy
Epot(MMFF94)=-8.03823 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.168 g/mol  logS: -1.15255  SlogP: -0.2792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1314  Sterimol/B1: 2.22482  Sterimol/B2: 2.30756  Sterimol/B3: 3.77262
  Sterimol/B4: 5.44669  Sterimol/L: 10.7764 
 
 Surface and Volume Properties
  Accessible surface: 340.481  Positive charged surface: 203.922  Negative charged surface: 136.558  Volume: 150.375
  Hydrophobic surface: 133.828  Hydrophilic surface: 206.653
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.