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PUBCHEM-ZINC01556847

 MMsINC code: MMs02814391
Type: Neutral
Formula: C7H8ClN3O4
SMILES:   ClC=1NC(=O)N(C)C(=O)C=1NC(OC)=O
InChI:   InChI=1/C7H8ClN3O4/c1-11-5(12)3(9-7(14)15-2)4(8)10-6(11)13/h1-2H3,(H,9,14)(H,10,13)

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Potential Energy
Epot(MMFF94)=9.00497 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.611 g/mol  logS: -1.74204  SlogP: 0.0408  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0509551  Sterimol/B1: 2.13134  Sterimol/B2: 2.78947  Sterimol/B3: 2.92712
  Sterimol/B4: 7.24466  Sterimol/L: 12.5606 
 
 Surface and Volume Properties
  Accessible surface: 405.064  Positive charged surface: 260.817  Negative charged surface: 144.247  Volume: 182
  Hydrophobic surface: 236.881  Hydrophilic surface: 168.183
 
 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.