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NCID-ZINC01575547

 MMsINC code: MMs02234353
Type: Ionized
Formula: C6H8ClN2O4-
SMILES:   ClCC(=O)NCC(=O)NCC(=O)[O-]
InChI:   InChI=1/C6H9ClN2O4/c7-1-4(10)8-2-5(11)9-3-6(12)13/h1-3H2,(H,8,10)(H,9,11)(H,12,13)/p-1

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Potential Energy
Epot(MMFF94)=30.1141 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.593 g/mol  logS: -0.95725  SlogP: -2.7925  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.030501  Sterimol/B1: 2.42031  Sterimol/B2: 2.92158  Sterimol/B3: 3.54069
  Sterimol/B4: 3.98063  Sterimol/L: 13.8238 
 
 Surface and Volume Properties
  Accessible surface: 396.606  Positive charged surface: 195.441  Negative charged surface: 201.166  Volume: 166.5
  Hydrophobic surface: 126.751  Hydrophilic surface: 269.855
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  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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MMs02234352
NCID-ZINC01575547