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NCID-ZINC01663997

 MMsINC code: MMs02300307
Type: Neutral
Formula: C5H3ClN2O4
SMILES:   ClC=1C(=O)NC(=O)NC=1C(O)=O
InChI:   InChI=1/C5H3ClN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)

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Potential Energy
Epot(MMFF94)=-3.48989 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.542 g/mol  logS: -1.53852  SlogP: -0.5303  Reactive groups: 0
 
 Topological Properties
  Globularity: 6.33208e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.0984  Sterimol/B3: 3.6332
  Sterimol/B4: 5.36098  Sterimol/L: 9.5285 
 
 Surface and Volume Properties
  Accessible surface: 307.701  Positive charged surface: 141.621  Negative charged surface: 166.08  Volume: 133.125
  Hydrophobic surface: 71.7596  Hydrophilic surface: 235.9414
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02300308
NCID-ZINC01663997