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PUBCHEM-ZINC06249996

 MMsINC code: MMs03638285
Type: Neutral
Formula: C17H30N2O2
SMILES:   O=C(N1CC(CCC1)C)CCCC(=O)N1CC(CCC1)C
InChI:   InChI=1/C17H30N2O2/c1-14-6-4-10-18(12-14)16(20)8-3-9-17(21)19-11-5-7-15(2)13-19/h14-15H,3-13H2,1-2H3/t14-,15+

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Potential Energy
Epot(MMFF94)=26.2377 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.439 g/mol  logS: -1.60115  SlogP: 2.6737  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0337474  Sterimol/B1: 2.445  Sterimol/B2: 2.54653  Sterimol/B3: 3.75363
  Sterimol/B4: 5.58197  Sterimol/L: 18.5038 
 
 Surface and Volume Properties
  Accessible surface: 589.114  Positive charged surface: 471.467  Negative charged surface: 117.646  Volume: 312.5
  Hydrophobic surface: 486.871  Hydrophilic surface: 102.243
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.