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PUBCHEM-ZINC02014445

 MMsINC code: MMs02851119
Type: Neutral
Formula: C18H26N2+2
SMILES:   [N+](C)(C)(C)c1ccc(cc1)-c1ccc([N+](C)(C)C)cc1
InChI:   InChI=1/C18H26N2/c1-19(2,3)17-11-7-15(8-12-17)16-9-13-18(14-10-16)20(4,5)6/h7-14H,1-6H3/q+2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=128.487 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.42 g/mol  logS: -3.40532  SlogP: 3.747  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0423818  Sterimol/B1: 2.3756  Sterimol/B2: 2.9336  Sterimol/B3: 4.32136
  Sterimol/B4: 4.77381  Sterimol/L: 15.9466 
 
 Surface and Volume Properties
  Accessible surface: 531.788  Positive charged surface: 425.113  Negative charged surface: 95.6038  Volume: 300.25
  Hydrophobic surface: 427.23  Hydrophilic surface: 104.558
 
 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.