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PUBCHEM-ZINC01852683

 MMsINC code: MMs02826572
Type: Neutral
Formula: C12H26Cl2N2O2
SMILES:   ClCC[N+]([O-])(CCCCCC[N+]([O-])(CCCl)C)C
InChI:   InChI=1/C12H26Cl2N2O2/c1-15(17,11-7-13)9-5-3-4-6-10-16(2,18)12-8-14/h3-12H2,1-2H3/t15-,16+

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Potential Energy
Epot(MMFF94)=63.2707 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.258 g/mol  logS: -2.39054  SlogP: 2.9132  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0311075  Sterimol/B1: 2.06138  Sterimol/B2: 3.26244  Sterimol/B3: 3.82525
  Sterimol/B4: 4.81082  Sterimol/L: 20.4606 
 
 Surface and Volume Properties
  Accessible surface: 569.824  Positive charged surface: 365.927  Negative charged surface: 203.897  Volume: 291.5
  Hydrophobic surface: 377.239  Hydrophilic surface: 192.585
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.