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CHEMBLOCK-ZINC06668835

 MMsINC code: MMs00583122
Type: Neutral
Formula: C12H10FNO4S2
SMILES:   s1cc(S(=O)(=O)N(C)c2ccc(F)cc2)cc1C(O)=O
InChI:   InChI=1/C12H10FNO4S2/c1-14(9-4-2-8(13)3-5-9)20(17,18)10-6-11(12(15)16)19-7-10/h2-7H,1H3,(H,15,16)

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Potential Energy
Epot(MMFF94)=62.6832 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.345 g/mol  logS: -3.19335  SlogP: 2.4105  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0908853  Sterimol/B1: 2.40277  Sterimol/B2: 2.42891  Sterimol/B3: 4.77546
  Sterimol/B4: 7.54379  Sterimol/L: 13.2092 
 
 Surface and Volume Properties
  Accessible surface: 472.215  Positive charged surface: 204.77  Negative charged surface: 267.445  Volume: 248.125
  Hydrophobic surface: 317.95  Hydrophilic surface: 154.265
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs00583123
CHEMBLOCK-ZINC06668835