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CHEMBRIDGE-ZINC04819514

 MMsINC code: MMs00791559
Type: Neutral
Formula: C14H24N2O2
SMILES:   O=C(NC(C)(C)C)C(=O)NCCC=1CCCCC=1
InChI:   InChI=1/C14H24N2O2/c1-14(2,3)16-13(18)12(17)15-10-9-11-7-5-4-6-8-11/h7H,4-6,8-10H2,1-3H3,(H,15,17)(H,16,18)

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Potential Energy
Epot(MMFF94)=48.1893 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.358 g/mol  logS: -2.88466  SlogP: 1.9078  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0497208  Sterimol/B1: 2.24352  Sterimol/B2: 3.08911  Sterimol/B3: 3.8387
  Sterimol/B4: 5.07399  Sterimol/L: 17.2737 
 
 Surface and Volume Properties
  Accessible surface: 524.93  Positive charged surface: 380.101  Negative charged surface: 144.829  Volume: 268.75
  Hydrophobic surface: 377.139  Hydrophilic surface: 147.791
 
 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.