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ENAMINE-ZINC03314007

 MMsINC code: MMs01365759
Type: Neutral
Formula: C13H14ClNO4
SMILES:   Clc1cc(NC(=O)COC(=O)C2CC2)c(OC)cc1
InChI:   InChI=1/C13H14ClNO4/c1-18-11-5-4-9(14)6-10(11)15-12(16)7-19-13(17)8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H,15,16)

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Potential Energy
Epot(MMFF94)=75.0397 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.711 g/mol  logS: -3.08867  SlogP: 2.2403  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0261951  Sterimol/B1: 2.56862  Sterimol/B2: 3.00223  Sterimol/B3: 3.34272
  Sterimol/B4: 8.5192  Sterimol/L: 15.6789 
 
 Surface and Volume Properties
  Accessible surface: 531.785  Positive charged surface: 318.755  Negative charged surface: 213.03  Volume: 252.875
  Hydrophobic surface: 401.948  Hydrophilic surface: 129.837
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.