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CHEMBRIDGE-ZINC00442602

 MMsINC code: MMs00616507
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-/m1/s1

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Potential Energy
Epot(MMFF94)=6.082 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: 0.110836  Sterimol/B1: 2.14022  Sterimol/B2: 2.3985  Sterimol/B3: 4.67172
  Sterimol/B4: 6.72515  Sterimol/L: 13.6196 
 
 Surface and Volume Properties
  Accessible surface: 488.732  Positive charged surface: 388.791  Negative charged surface: 99.9411  Volume: 261.25
  Hydrophobic surface: 419.322  Hydrophilic surface: 69.41
 
 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.