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CHEMBRIDGE-ZINC05027725

 MMsINC code: MMs00828708
Type: Neutral
Formula: C13H12Cl2N2O4
SMILES:   Clc1cc(cc(Cl)c1O)C1NC(=O)NC(C)=C1C(OC)=O
InChI:   InChI=1/C13H12Cl2N2O4/c1-5-9(12(19)21-2)10(17-13(20)16-5)6-3-7(14)11(18)8(15)4-6/h3-4,10,18H,1-2H3,(H2,16,17,20)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=43.3951 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.155 g/mol  logS: -3.62419  SlogP: 2.5954  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.206069  Sterimol/B1: 3.31924  Sterimol/B2: 4.74137  Sterimol/B3: 4.75278
  Sterimol/B4: 5.90984  Sterimol/L: 11.9606 
 
 Surface and Volume Properties
  Accessible surface: 497.929  Positive charged surface: 262.41  Negative charged surface: 235.519  Volume: 264.75
  Hydrophobic surface: 341.201  Hydrophilic surface: 156.728
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.