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NCID-ZINC01573946

 MMsINC code: MMs02233245
Type: Neutral
Formula: C10H14N2O3
SMILES:   O(C(=O)c1n(cc(NC(=O)C)c1)C)CC
InChI:   InChI=1/C10H14N2O3/c1-4-15-10(14)9-5-8(6-12(9)3)11-7(2)13/h5-6H,4H2,1-3H3,(H,11,13)

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Potential Energy
Epot(MMFF94)=24.3445 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.233 g/mol  logS: -0.79342  SlogP: 1.5194  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0169509  Sterimol/B1: 2.37754  Sterimol/B2: 2.50355  Sterimol/B3: 3.54737
  Sterimol/B4: 4.91189  Sterimol/L: 14.8994 
 
 Surface and Volume Properties
  Accessible surface: 441.343  Positive charged surface: 307.038  Negative charged surface: 134.305  Volume: 203.75
  Hydrophobic surface: 300.751  Hydrophilic surface: 140.592
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.