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ENAMINE-ZINC03330347

 MMsINC code: MMs01376283
Type: Neutral
Formula: C11H13ClN2O3
SMILES:   Clc1cc(N)c(cc1)C(OCC(=O)N(C)C)=O
InChI:   InChI=1/C11H13ClN2O3/c1-14(2)10(15)6-17-11(16)8-4-3-7(12)5-9(8)13/h3-5H,6,13H2,1-2H3

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Potential Energy
Epot(MMFF94)=62.8898 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.689 g/mol  logS: -2.28836  SlogP: 1.1672  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0119099  Sterimol/B1: 2.4106  Sterimol/B2: 2.68622  Sterimol/B3: 3.24499
  Sterimol/B4: 5.39932  Sterimol/L: 15.8014 
 
 Surface and Volume Properties
  Accessible surface: 467.656  Positive charged surface: 299.625  Negative charged surface: 168.032  Volume: 227.375
  Hydrophobic surface: 356.244  Hydrophilic surface: 111.412
 
 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.