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CHEMBRIDGE-ZINC02991980

 MMsINC code: MMs00747399
Type: Neutral
Formula: C14H24N2O2
SMILES:   O=C(NC1CCCC1)C(=O)NC1CCCCCC1
InChI:   InChI=1/C14H24N2O2/c17-13(14(18)16-12-9-5-6-10-12)15-11-7-3-1-2-4-8-11/h11-12H,1-10H2,(H,15,17)(H,16,18)

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Potential Energy
Epot(MMFF94)=50.9163 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.358 g/mol  logS: -2.87796  SlogP: 1.8842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0587059  Sterimol/B1: 2.53122  Sterimol/B2: 3.29411  Sterimol/B3: 4.41078
  Sterimol/B4: 4.73744  Sterimol/L: 16.0996 
 
 Surface and Volume Properties
  Accessible surface: 511.607  Positive charged surface: 387.868  Negative charged surface: 123.739  Volume: 261.875
  Hydrophobic surface: 424.936  Hydrophilic surface: 86.671
 
 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.