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ENAMINE-ZINC02649257

 MMsINC code: MMs01274223
Type: Neutral
Formula: C15H13ClFNO4S
SMILES:   Clc1cc(S(=O)(=O)Nc2ccccc2C(OCC)=O)ccc1F
InChI:   InChI=1/C15H13ClFNO4S/c1-2-22-15(19)11-5-3-4-6-14(11)18-23(20,21)10-7-8-13(17)12(16)9-10/h3-9,18H,2H2,1H3

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Potential Energy
Epot(MMFF94)=53.6717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.789 g/mol  logS: -4.78493  SlogP: 3.4566  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.21845  Sterimol/B1: 4.04581  Sterimol/B2: 4.17122  Sterimol/B3: 5.65911
  Sterimol/B4: 6.67657  Sterimol/L: 13.7812 
 
 Surface and Volume Properties
  Accessible surface: 550.573  Positive charged surface: 265.356  Negative charged surface: 285.217  Volume: 291.75
  Hydrophobic surface: 429.535  Hydrophilic surface: 121.038
 
 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.