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PUBCHEM-ZINC02165180

 MMsINC code: MMs02878655
Type: Neutral
Formula: C11H26N2
SMILES:   N(CC(CCCC)CC)CCCN
InChI:   InChI=1/C11H26N2/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11,13H,3-10,12H2,1-2H3/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=4.62136 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.343 g/mol  logS: -2.04224  SlogP: 2.1412  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0480722  Sterimol/B1: 2.23723  Sterimol/B2: 2.62429  Sterimol/B3: 3.28464
  Sterimol/B4: 8.42455  Sterimol/L: 15.2209 
 
 Surface and Volume Properties
  Accessible surface: 488.45  Positive charged surface: 403.87  Negative charged surface: 84.5795  Volume: 230.625
  Hydrophobic surface: 366.584  Hydrophilic surface: 121.866
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02878656
PUBCHEM-ZINC02165180