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CHEMBRIDGE-ZINC00442601

 MMsINC code: MMs00616506
Type: Neutral
Formula: C14H26N2O
SMILES:   O=C(NC1CCCCC1)N1CC(CC(C1)C)C
InChI:   InChI=1/C14H26N2O/c1-11-8-12(2)10-16(9-11)14(17)15-13-6-4-3-5-7-13/h11-13H,3-10H2,1-2H3,(H,15,17)/t11-,12+

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Potential Energy
Epot(MMFF94)=1.40285 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.375 g/mol  logS: -2.12717  SlogP: 3.0066  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0845559  Sterimol/B1: 2.52026  Sterimol/B2: 3.4347  Sterimol/B3: 3.54004
  Sterimol/B4: 6.91281  Sterimol/L: 14.2931 
 
 Surface and Volume Properties
  Accessible surface: 501.382  Positive charged surface: 397.496  Negative charged surface: 103.885  Volume: 262.375
  Hydrophobic surface: 426.275  Hydrophilic surface: 75.107
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.