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PUBCHEM-ZINC02560589

 MMsINC code: MMs02901094
Type: Ionized
Formula: C10H26N2+2
SMILES:   [NH2+](CCCC[NH2+]CCC)CCC
InChI:   InChI=1/C10H24N2/c1-3-7-11-9-5-6-10-12-8-4-2/h11-12H,3-10H2,1-2H3/p+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.43006 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.332 g/mol  logS: -0.53714  SlogP: -0.2866  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0233838  Sterimol/B1: 2.38144  Sterimol/B2: 2.3835  Sterimol/B3: 2.49474
  Sterimol/B4: 2.8719  Sterimol/L: 18.4162 
 
 Surface and Volume Properties
  Accessible surface: 492.111  Positive charged surface: 429.831  Negative charged surface: 62.2802  Volume: 220.875
  Hydrophobic surface: 380.885  Hydrophilic surface: 111.226
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  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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Parent related molecule:


MMs02901093
PUBCHEM-ZINC02560589