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NCID-ZINC01573267

 MMsINC code: MMs02232770
Type: Neutral
Formula: C7H14N2O3
SMILES:   OC(=O)C(N(C)C)CC(=O)NC
InChI:   InChI=1/C7H14N2O3/c1-8-6(10)4-5(7(11)12)9(2)3/h5H,4H2,1-3H3,(H,8,10)(H,11,12)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=42.5045 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.2 g/mol  logS: 0.46124  SlogP: -0.8627  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.194666  Sterimol/B1: 2.4238  Sterimol/B2: 3.88222  Sterimol/B3: 3.99328
  Sterimol/B4: 5.37181  Sterimol/L: 10.9803 
 
 Surface and Volume Properties
  Accessible surface: 368.406  Positive charged surface: 310.441  Negative charged surface: 57.9654  Volume: 168.75
  Hydrophobic surface: 253.538  Hydrophilic surface: 114.868
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.