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PUBCHEM-ZINC05698938

 MMsINC code: MMs03352283
Type: Neutral
Formula: C15H32Cl2N2
SMILES:   ClCCN(CCCCCCCCCN(CCCl)C)C
InChI:   InChI=1/C15H32Cl2N2/c1-18(14-10-16)12-8-6-4-3-5-7-9-13-19(2)15-11-17/h3-15H2,1-2H3

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Potential Energy
Epot(MMFF94)=35.867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.341 g/mol  logS: -3.26962  SlogP: 4.0583  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0250651  Sterimol/B1: 2.12077  Sterimol/B2: 2.32412  Sterimol/B3: 3.72151
  Sterimol/B4: 4.63144  Sterimol/L: 24.2186 
 
 Surface and Volume Properties
  Accessible surface: 654.92  Positive charged surface: 485.346  Negative charged surface: 169.574  Volume: 335.5
  Hydrophobic surface: 506.099  Hydrophilic surface: 148.821
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  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


MMs03352284
PUBCHEM-ZINC05698938