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ENAMINE-ZINC03503405

 MMsINC code: MMs01478002
Type: Neutral
Formula: C10H9Cl2NO3
SMILES:   Clc1cc(Cl)cc(C(OCC(=O)C)=O)c1N
InChI:   InChI=1/C10H9Cl2NO3/c1-5(14)4-16-10(15)7-2-6(11)3-8(12)9(7)13/h2-3H,4,13H2,1H3

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Potential Energy
Epot(MMFF94)=54.1264 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.092 g/mol  logS: -3.29478  SlogP: 2.3214  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0120857  Sterimol/B1: 2.32594  Sterimol/B2: 2.50111  Sterimol/B3: 4.35045
  Sterimol/B4: 5.50733  Sterimol/L: 14.2296 
 
 Surface and Volume Properties
  Accessible surface: 445.014  Positive charged surface: 200.183  Negative charged surface: 244.83  Volume: 214.75
  Hydrophobic surface: 335.361  Hydrophilic surface: 109.653
 
 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.