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CHEMDIV-ZINC00246597

 MMsINC code: MMs00845823
Type: Neutral
Formula: C14H24N2O2
SMILES:   O=C(NC1CCCC1)C1(NC(=O)C)CCCCC1
InChI:   InChI=1/C14H24N2O2/c1-11(17)16-14(9-5-2-6-10-14)13(18)15-12-7-3-4-8-12/h12H,2-10H2,1H3,(H,15,18)(H,16,17)

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Potential Energy
Epot(MMFF94)=44.9917 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.358 g/mol  logS: -2.3701  SlogP: 1.8842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125511  Sterimol/B1: 2.23601  Sterimol/B2: 3.17287  Sterimol/B3: 4.01454
  Sterimol/B4: 7.34141  Sterimol/L: 13.4296 
 
 Surface and Volume Properties
  Accessible surface: 488.017  Positive charged surface: 358.03  Negative charged surface: 129.986  Volume: 261.875
  Hydrophobic surface: 437.693  Hydrophilic surface: 50.324
 
 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.