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PUBCHEM-ZINC06561875

 MMsINC code: MMs03795815
Type: Neutral
Formula: C12H26N2-2
SMILES:   [NH-]CCCCCCCCCCCC[NH-]
InChI:   InChI=1/C12H26N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h13-14H,1-12H2/q-2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.16281 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.354 g/mol  logS: -2.92044  SlogP: 3.4532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0198303  Sterimol/B1: 2.19808  Sterimol/B2: 2.37495  Sterimol/B3: 2.37582
  Sterimol/B4: 3.10252  Sterimol/L: 20.4355 
 
 Surface and Volume Properties
  Accessible surface: 524.157  Positive charged surface: 406.482  Negative charged surface: 117.675  Volume: 243.625
  Hydrophobic surface: 403.174  Hydrophilic surface: 120.983
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  Acid groups: 2  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: 0
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Ions/Tautomers related molecules: no related molecules available.