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PUBCHEM-ZINC06017772

 MMsINC code: MMs03493637
Type: Neutral
Formula: C13H11ClN2O5
SMILES:   Clc1cc2N=C(\C=C(/OC)\O)C(=O)NC(=O)c2cc1OC
InChI:   InChI=1/C13H11ClN2O5/c1-20-10-3-6-8(4-7(10)14)15-9(5-11(17)21-2)13(19)16-12(6)18/h3-5,17H,1-2H3,(H,16,18,19)/b11-5-

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Potential Energy
Epot(MMFF94)=97.872 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.693 g/mol  logS: -3.56419  SlogP: 1.7369  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00903181  Sterimol/B1: 2.37547  Sterimol/B2: 2.37551  Sterimol/B3: 5.00921
  Sterimol/B4: 6.20425  Sterimol/L: 14.4399 
 
 Surface and Volume Properties
  Accessible surface: 488.418  Positive charged surface: 294.569  Negative charged surface: 193.849  Volume: 252.5
  Hydrophobic surface: 326.758  Hydrophilic surface: 161.66
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.