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PUBCHEM-ZINC01842012

 MMsINC code: MMs02822031
Type: Neutral
Formula: C11H24N2
SMILES:   N(CCCN(C)C)C1CCCCC1
InChI:   InChI=1/C11H24N2/c1-13(2)10-6-9-12-11-7-4-3-5-8-11/h11-12H,3-10H2,1-2H3

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Potential Energy
Epot(MMFF94)=10.3539 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.327 g/mol  logS: -0.92828  SlogP: 1.8604  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0734695  Sterimol/B1: 2.17032  Sterimol/B2: 3.25161  Sterimol/B3: 4.37032
  Sterimol/B4: 4.38257  Sterimol/L: 14.9777 
 
 Surface and Volume Properties
  Accessible surface: 452.715  Positive charged surface: 405.448  Negative charged surface: 47.2666  Volume: 220.25
  Hydrophobic surface: 434.97  Hydrophilic surface: 17.745
 
 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


MMs02822032
PUBCHEM-ZINC01842012