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CHEMSTAR-ZINC00288649

 MMsINC code: MMs01074461
Type: Neutral
Formula: C14H10Cl2N2O4
SMILES:   Clc1cc(Cl)cc(\C=N\NC(=O)c2cc(O)cc(O)c2)c1O
InChI:   InChI=1/C14H10Cl2N2O4/c15-9-1-8(13(21)12(16)4-9)6-17-18-14(22)7-2-10(19)5-11(20)3-7/h1-6,19-21H,(H,18,22)/b17-6+

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Potential Energy
Epot(MMFF94)=86.1961 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.15 g/mol  logS: -3.92088  SlogP: 2.8741  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00367172  Sterimol/B1: 2.16911  Sterimol/B2: 2.23393  Sterimol/B3: 3.66806
  Sterimol/B4: 5.77239  Sterimol/L: 16.8784 
 
 Surface and Volume Properties
  Accessible surface: 550.032  Positive charged surface: 257.249  Negative charged surface: 292.783  Volume: 274.625
  Hydrophobic surface: 349.501  Hydrophilic surface: 200.531
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.