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ENAMINE-ZINC03564335

 MMsINC code: MMs01510565
Type: Neutral
Formula: C14H12ClNO4
SMILES:   Clc1ccc(cc1)C(=O)COC(=O)c1c(noc1C)C
InChI:   InChI=1/C14H12ClNO4/c1-8-13(9(2)20-16-8)14(18)19-7-12(17)10-3-5-11(15)6-4-10/h3-6H,7H2,1-2H3

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Potential Energy
Epot(MMFF94)=67.8971 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.706 g/mol  logS: -3.87328  SlogP: 2.98454  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0802454  Sterimol/B1: 2.04554  Sterimol/B2: 3.78884  Sterimol/B3: 3.90621
  Sterimol/B4: 7.20117  Sterimol/L: 16.5754 
 
 Surface and Volume Properties
  Accessible surface: 528.718  Positive charged surface: 234.523  Negative charged surface: 294.195  Volume: 259.25
  Hydrophobic surface: 432.256  Hydrophilic surface: 96.462
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.