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ENAMINE-ZINC03317232

 MMsINC code: MMs01367749
Type: Neutral
Formula: C13H9ClFNO3S
SMILES:   Clc1cc(F)c(NC(=O)COC(=O)c2sccc2)cc1
InChI:   InChI=1/C13H9ClFNO3S/c14-8-3-4-10(9(15)6-8)16-12(17)7-19-13(18)11-2-1-5-20-11/h1-6H,7H2,(H,16,17)

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Potential Energy
Epot(MMFF94)=62.07 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.736 g/mol  logS: -4.59898  SlogP: 3.3361  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0135856  Sterimol/B1: 2.47213  Sterimol/B2: 2.92237  Sterimol/B3: 3.60957
  Sterimol/B4: 4.36905  Sterimol/L: 17.8585 
 
 Surface and Volume Properties
  Accessible surface: 521.089  Positive charged surface: 216.014  Negative charged surface: 305.075  Volume: 253.75
  Hydrophobic surface: 435.501  Hydrophilic surface: 85.588
 
 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.