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CHEMBLOCK-ZINC04718039

 MMsINC code: MMs00572918
Type: Neutral
Formula: C13H11ClFNO4S2
SMILES:   Clc1sc(S(=O)(=O)NC(Cc2ccc(F)cc2)C(O)=O)cc1
InChI:   InChI=1/C13H11ClFNO4S2/c14-11-5-6-12(21-11)22(19,20)16-10(13(17)18)7-8-1-3-9(15)4-2-8/h1-6,10,16H,7H2,(H,17,18)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=38.1732 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.817 g/mol  logS: -4.35361  SlogP: 2.51477  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125496  Sterimol/B1: 2.4387  Sterimol/B2: 4.09072  Sterimol/B3: 5.0374
  Sterimol/B4: 5.41502  Sterimol/L: 15.256 
 
 Surface and Volume Properties
  Accessible surface: 520.769  Positive charged surface: 202.709  Negative charged surface: 318.06  Volume: 281.625
  Hydrophobic surface: 385.83  Hydrophilic surface: 134.939
 
 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


MMs00572919
CHEMBLOCK-ZINC04718039