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PUBCHEM-ZINC01999141

 MMsINC code: MMs02841613
Type: Neutral
Formula: C13H24N2+2
SMILES:   [N+](C)(C)(C)c1ccc(cc1)C[N+](C)(C)C
InChI:   InChI=1/C13H24N2/c1-14(2,3)11-12-7-9-13(10-8-12)15(4,5)6/h7-10H,11H2,1-6H3/q+2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.7591 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.349 g/mol  logS: -0.92298  SlogP: 2.3559  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109614  Sterimol/B1: 2.42037  Sterimol/B2: 2.74801  Sterimol/B3: 4.30052
  Sterimol/B4: 4.81607  Sterimol/L: 13.096 
 
 Surface and Volume Properties
  Accessible surface: 443.752  Positive charged surface: 405.545  Negative charged surface: 38.2078  Volume: 240.375
  Hydrophobic surface: 336.086  Hydrophilic surface: 107.666
 
 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.