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CHEMBRIDGE-ZINC04834680

 MMsINC code: MMs00796385
Type: Neutral
Formula: C13H26N2O
SMILES:   O=C(NC1CCCCCCC1)N(CC)CC
InChI:   InChI=1/C13H26N2O/c1-3-15(4-2)13(16)14-12-10-8-6-5-7-9-11-12/h12H,3-11H2,1-2H3,(H,14,16)

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Potential Energy
Epot(MMFF94)=51.6818 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.364 g/mol  logS: -2.65434  SlogP: 3.1507  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15418  Sterimol/B1: 2.25701  Sterimol/B2: 3.10848  Sterimol/B3: 4.73455
  Sterimol/B4: 6.70911  Sterimol/L: 12.2363 
 
 Surface and Volume Properties
  Accessible surface: 472.002  Positive charged surface: 361.024  Negative charged surface: 110.978  Volume: 251.375
  Hydrophobic surface: 405.937  Hydrophilic surface: 66.065
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.