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PUBCHEM-ZINC02012817

 MMsINC code: MMs02850235
Type: Neutral
Formula: C10H22Cl2N2
SMILES:   ClCCNCCCCCCNCCCl
InChI:   InChI=1/C10H22Cl2N2/c11-5-9-13-7-3-1-2-4-8-14-10-6-12/h13-14H,1-10H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.32176 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.206 g/mol  logS: -1.46206  SlogP: 2.2036  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0225866  Sterimol/B1: 2.14441  Sterimol/B2: 2.37493  Sterimol/B3: 2.37598
  Sterimol/B4: 3.0365  Sterimol/L: 20.619 
 
 Surface and Volume Properties
  Accessible surface: 535.894  Positive charged surface: 366.999  Negative charged surface: 168.895  Volume: 250.75
  Hydrophobic surface: 355.601  Hydrophilic surface: 180.293
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02850236
PUBCHEM-ZINC02012817