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CHEMBRIDGE-ZINC04750158

 MMsINC code: MMs00783632
Type: Neutral
Formula: C12H24N2O
SMILES:   O=C(NC1CCN(CC1)C)CCCCC
InChI:   InChI=1/C12H24N2O/c1-3-4-5-6-12(15)13-11-7-9-14(2)10-8-11/h11H,3-10H2,1-2H3,(H,13,15)

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Potential Energy
Epot(MMFF94)=3.16982 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.337 g/mol  logS: -1.96817  SlogP: 1.7771  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0340198  Sterimol/B1: 3.08002  Sterimol/B2: 3.1299  Sterimol/B3: 3.4724
  Sterimol/B4: 3.93515  Sterimol/L: 17.3153 
 
 Surface and Volume Properties
  Accessible surface: 491.535  Positive charged surface: 418.085  Negative charged surface: 73.4498  Volume: 238
  Hydrophobic surface: 425.59  Hydrophilic surface: 65.945
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs00783633
CHEMBRIDGE-ZINC04750158