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PUBCHEM-ZINC06753310

 MMsINC code: MMs03850375
Type: Neutral
Formula: C8H14Cl2N2O4
SMILES:   ClCCN(CCCl)C(OCC(N)C(O)=O)=O
InChI:   InChI=1/C8H14Cl2N2O4/c9-1-3-12(4-2-10)8(15)16-5-6(11)7(13)14/h6H,1-5,11H2,(H,13,14)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=22.8825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.116 g/mol  logS: -0.9517  SlogP: 0.3145  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0755954  Sterimol/B1: 2.42583  Sterimol/B2: 3.49319  Sterimol/B3: 3.84916
  Sterimol/B4: 6.62721  Sterimol/L: 13.8106 
 
 Surface and Volume Properties
  Accessible surface: 483.212  Positive charged surface: 264.244  Negative charged surface: 218.968  Volume: 224.625
  Hydrophobic surface: 169.319  Hydrophilic surface: 313.893
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.