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NCID-ZINC01562397

 MMsINC code: MMs02224376
Type: Neutral
Formula: C11H26N2
SMILES:   N(CCCC)CCCNCCCC
InChI:   InChI=1/C11H26N2/c1-3-5-8-12-10-7-11-13-9-6-4-2/h12-13H,3-11H2,1-2H3

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Potential Energy
Epot(MMFF94)=-10.932 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.343 g/mol  logS: -1.41459  SlogP: 2.1559  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0193246  Sterimol/B1: 2.2209  Sterimol/B2: 2.44662  Sterimol/B3: 2.57366
  Sterimol/B4: 3.22794  Sterimol/L: 19.5694 
 
 Surface and Volume Properties
  Accessible surface: 511.322  Positive charged surface: 431.696  Negative charged surface: 79.6253  Volume: 234.25
  Hydrophobic surface: 426.848  Hydrophilic surface: 84.474
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02224377
NCID-ZINC01562397