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NCID-ZINC01671219

 MMsINC code: MMs02307208
Type: Neutral
Formula: C11H24N2O
SMILES:   OC1C(CCC1CN(C)C)CN(C)C
InChI:   InChI=1/C11H24N2O/c1-12(2)7-9-5-6-10(11(9)14)8-13(3)4/h9-11,14H,5-8H2,1-4H3/t9-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=46.0054 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.326 g/mol  logS: 0.11118  SlogP: 0.4967  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0983192  Sterimol/B1: 3.12326  Sterimol/B2: 3.43552  Sterimol/B3: 3.56159
  Sterimol/B4: 4.3294  Sterimol/L: 14.0187 
 
 Surface and Volume Properties
  Accessible surface: 449.96  Positive charged surface: 425.566  Negative charged surface: 24.394  Volume: 228.75
  Hydrophobic surface: 411.774  Hydrophilic surface: 38.186
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs02307209
NCID-ZINC01671219