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ENAMINE-ZINC02634455

 MMsINC code: MMs01264585
Type: Neutral
Formula: C15H13ClFNO4S
SMILES:   Clc1ccc(S(=O)(=O)NC(CC(O)=O)c2ccc(F)cc2)cc1
InChI:   InChI=1/C15H13ClFNO4S/c16-11-3-7-13(8-4-11)23(21,22)18-14(9-15(19)20)10-1-5-12(17)6-2-10/h1-8,14,18H,9H2,(H,19,20)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=18.4723 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.789 g/mol  logS: -3.89779  SlogP: 3.0689  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.298681  Sterimol/B1: 3.11079  Sterimol/B2: 4.39089  Sterimol/B3: 5.89199
  Sterimol/B4: 5.92581  Sterimol/L: 12.4223 
 
 Surface and Volume Properties
  Accessible surface: 538.93  Positive charged surface: 230.066  Negative charged surface: 308.863  Volume: 288.375
  Hydrophobic surface: 386.696  Hydrophilic surface: 152.234
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs01264586
ENAMINE-ZINC02634455