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NCID-ZINC01603250

 MMsINC code: MMs02255979
Type: Neutral
Formula: C7H14N2O3
SMILES:   O(C(=O)CNC(=O)N(C)C)CC
InChI:   InChI=1/C7H14N2O3/c1-4-12-6(10)5-8-7(11)9(2)3/h4-5H2,1-3H3,(H,8,11)

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Potential Energy
Epot(MMFF94)=2.12868 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.2 g/mol  logS: -0.23372  SlogP: -0.1793  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0241225  Sterimol/B1: 2.51235  Sterimol/B2: 2.51313  Sterimol/B3: 3.44223
  Sterimol/B4: 3.67308  Sterimol/L: 14.2504 
 
 Surface and Volume Properties
  Accessible surface: 400.332  Positive charged surface: 324.01  Negative charged surface: 76.322  Volume: 174.25
  Hydrophobic surface: 288.389  Hydrophilic surface: 111.943
 
 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.