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ENAMINE-ZINC05506497

 MMsINC code: MMs01617988
Type: Neutral
Formula: C15H13Cl2NO4
SMILES:   Clc1ccc(Cl)nc1Oc1ccc(OC(C(OC)=O)C)cc1
InChI:   InChI=1/C15H13Cl2NO4/c1-9(15(19)20-2)21-10-3-5-11(6-4-10)22-14-12(16)7-8-13(17)18-14/h3-9H,1-2H3/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=86.9322 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.178 g/mol  logS: -4.78631  SlogP: 4.121  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0460456  Sterimol/B1: 3.13443  Sterimol/B2: 3.39353  Sterimol/B3: 3.83001
  Sterimol/B4: 6.09479  Sterimol/L: 17.5308 
 
 Surface and Volume Properties
  Accessible surface: 579.583  Positive charged surface: 294.408  Negative charged surface: 285.175  Volume: 290.625
  Hydrophobic surface: 498.973  Hydrophilic surface: 80.61
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.