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CHEMBRIDGE-ZINC01759938

 MMsINC code: MMs00695626
Type: Neutral
Formula: C10H20N2O2
SMILES:   O=C(NCC(C)C)C(=O)NCC(C)C
InChI:   InChI=1/C10H20N2O2/c1-7(2)5-11-9(13)10(14)12-6-8(3)4/h7-8H,5-6H2,1-4H3,(H,11,13)(H,12,14)

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Potential Energy
Epot(MMFF94)=25.9079 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: -1.39718  SlogP: 0.5308  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0309183  Sterimol/B1: 2.67559  Sterimol/B2: 2.81306  Sterimol/B3: 3.08498
  Sterimol/B4: 4.2883  Sterimol/L: 15.7491 
 
 Surface and Volume Properties
  Accessible surface: 462.655  Positive charged surface: 330.456  Negative charged surface: 132.199  Volume: 216.125
  Hydrophobic surface: 288.19  Hydrophilic surface: 174.465
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.