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PUBCHEM-ZINC05674096

 MMsINC code: MMs03343278
Type: Neutral
Formula: C17H32N2O2
SMILES:   O=C(NC(CC)C)C1CC(CC(=O)NC(CC)C)C1(C)C
InChI:   InChI=1/C17H32N2O2/c1-7-11(3)18-15(20)10-13-9-14(17(13,5)6)16(21)19-12(4)8-2/h11-14H,7-10H2,1-6H3,(H,18,20)(H,19,21)/t11-,12-,13+,14+/m0/s1

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Potential Energy
Epot(MMFF94)=32.1952 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.455 g/mol  logS: -2.94561  SlogP: 2.8682  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0868588  Sterimol/B1: 2.18801  Sterimol/B2: 4.39234  Sterimol/B3: 5.21202
  Sterimol/B4: 5.55458  Sterimol/L: 17.0058 
 
 Surface and Volume Properties
  Accessible surface: 603.437  Positive charged surface: 394.286  Negative charged surface: 155.783  Volume: 324.75
  Hydrophobic surface: 432.641  Hydrophilic surface: 170.796
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.