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CHEMBRIDGE-ZINC02744800

 MMsINC code: MMs00714777
Type: Neutral
Formula: C11H22N2O2
SMILES:   O=C(NC(C)C)CCCC(=O)NC(C)C
InChI:   InChI=1/C11H22N2O2/c1-8(2)12-10(14)6-5-7-11(15)13-9(3)4/h8-9H,5-7H2,1-4H3,(H,12,14)(H,13,15)

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Potential Energy
Epot(MMFF94)=5.56489 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.309 g/mol  logS: -1.21013  SlogP: 1.2059  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0472681  Sterimol/B1: 2.49317  Sterimol/B2: 2.49605  Sterimol/B3: 3.44785
  Sterimol/B4: 4.25065  Sterimol/L: 16.8251 
 
 Surface and Volume Properties
  Accessible surface: 501.492  Positive charged surface: 372.306  Negative charged surface: 129.185  Volume: 232.75
  Hydrophobic surface: 335.971  Hydrophilic surface: 165.521
 
 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.