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ACROSORGANICS-ZINC01530808

 MMsINC code: MMs00008948
Type: Neutral
Formula: C12H30N2+2
SMILES:   [N+](CCCCCC[N+](C)(C)C)(C)(C)C
InChI:   InChI=1/C12H30N2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6/h7-12H2,1-6H3/q+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.3126 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.386 g/mol  logS: 0.06736  SlogP: 1.9592  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0680655  Sterimol/B1: 2.30237  Sterimol/B2: 2.37597  Sterimol/B3: 3.92181
  Sterimol/B4: 4.77396  Sterimol/L: 15.7655 
 
 Surface and Volume Properties
  Accessible surface: 489.449  Positive charged surface: 478.166  Negative charged surface: 11.2827  Volume: 252.875
  Hydrophobic surface: 375.732  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.