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PUBCHEM-ZINC05820660

 MMsINC code: MMs03399629
Type: Neutral
Formula: C15H28N2O2
SMILES:   O=C1NC(CC1)C(=O)N(CCCCC)CCCCC
InChI:   InChI=1/C15H28N2O2/c1-3-5-7-11-17(12-8-6-4-2)15(19)13-9-10-14(18)16-13/h13H,3-12H2,1-2H3,(H,16,18)/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=27.5633 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.401 g/mol  logS: -3.18106  SlogP: 2.474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0916216  Sterimol/B1: 2.19937  Sterimol/B2: 2.86218  Sterimol/B3: 3.89665
  Sterimol/B4: 10.7361  Sterimol/L: 15.4404 
 
 Surface and Volume Properties
  Accessible surface: 576.678  Positive charged surface: 426.159  Negative charged surface: 150.519  Volume: 291.75
  Hydrophobic surface: 425.78  Hydrophilic surface: 150.898
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.