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NCID-ZINC01730253

 MMsINC code: MMs02353225
Type: Neutral
Formula: C10H26N2+2
SMILES:   [N+](CCCC[N+](C)(C)C)(C)(C)C
InChI:   InChI=1/C10H26N2/c1-11(2,3)9-7-8-10-12(4,5)6/h7-10H2,1-6H3/q+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.9032 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.332 g/mol  logS: 0.4709  SlogP: 1.179  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119847  Sterimol/B1: 2.34077  Sterimol/B2: 2.37751  Sterimol/B3: 3.96178
  Sterimol/B4: 4.77274  Sterimol/L: 13.2441 
 
 Surface and Volume Properties
  Accessible surface: 428.619  Positive charged surface: 425.216  Negative charged surface: 3.40318  Volume: 216.125
  Hydrophobic surface: 314.902  Hydrophilic surface: 113.717
 
 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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Ions/Tautomers related molecules: no related molecules available.