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NCID-ZINC01847081

 MMsINC code: MMs02371180
Type: Neutral
Formula: C6H5ClN2O4
SMILES:   ClC=1C(=O)NC(=O)NC=1C(OC)=O
InChI:   InChI=1/C6H5ClN2O4/c1-13-5(11)3-2(7)4(10)9-6(12)8-3/h1H3,(H2,8,9,10,12)

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Potential Energy
Epot(MMFF94)=7.37551 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.569 g/mol  logS: -1.95085  SlogP: -0.4419  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0132752  Sterimol/B1: 2.37453  Sterimol/B2: 2.37557  Sterimol/B3: 3.98138
  Sterimol/B4: 5.18378  Sterimol/L: 10.7693 
 
 Surface and Volume Properties
  Accessible surface: 342.232  Positive charged surface: 194.738  Negative charged surface: 147.494  Volume: 151.25
  Hydrophobic surface: 163.418  Hydrophilic surface: 178.814
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: no related molecules available.