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NCID-ZINC01642474

 MMsINC code: MMs02284287
Type: Ionized
Formula: C7H6ClN2O4-
SMILES:   ClCC=1C(=O)NC(=O)NC=1CC(=O)[O-]
InChI:   InChI=1/C7H7ClN2O4/c8-2-3-4(1-5(11)12)9-7(14)10-6(3)13/h1-2H2,(H,11,12)(H2,9,10,13,14)/p-1

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Potential Energy
Epot(MMFF94)=-26.6887 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.588 g/mol  logS: -1.62493  SlogP: -1.5413  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0660793  Sterimol/B1: 2.49969  Sterimol/B2: 3.71804  Sterimol/B3: 4.33971
  Sterimol/B4: 5.69641  Sterimol/L: 10.7069 
 
 Surface and Volume Properties
  Accessible surface: 357.936  Positive charged surface: 149.154  Negative charged surface: 208.782  Volume: 164.875
  Hydrophobic surface: 66.6029  Hydrophilic surface: 291.3331
 
 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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Parent related molecule:


MMs02284286
NCID-ZINC01642474