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ENAMINE-ZINC03446140

 MMsINC code: MMs01447529
Type: Neutral
Formula: C15H11Cl2NO3
SMILES:   Clc1cc(N)c(cc1)C(OCC(=O)c1ccc(Cl)cc1)=O
InChI:   InChI=1/C15H11Cl2NO3/c16-10-3-1-9(2-4-10)14(19)8-21-15(20)12-6-5-11(17)7-13(12)18/h1-7H,8,18H2

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Potential Energy
Epot(MMFF94)=78.6454 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.163 g/mol  logS: -5.05532  SlogP: 3.6153  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00316944  Sterimol/B1: 2.22408  Sterimol/B2: 2.52292  Sterimol/B3: 3.00418
  Sterimol/B4: 5.61457  Sterimol/L: 18.8744 
 
 Surface and Volume Properties
  Accessible surface: 534.454  Positive charged surface: 230.928  Negative charged surface: 303.526  Volume: 275.625
  Hydrophobic surface: 423.015  Hydrophilic surface: 111.439
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.