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MAYBRIDGE-ZINC00080655

 MMsINC code: MMs02128843
Type: Neutral
Formula: C12H9F2NO4S2
SMILES:   s1ccc(NS(=O)(=O)c2ccc(F)cc2F)c1C(OC)=O
InChI:   InChI=1/C12H9F2NO4S2/c1-19-12(16)11-9(4-5-20-11)15-21(17,18)10-3-2-7(13)6-8(10)14/h2-6,15H,1H3

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Potential Energy
Epot(MMFF94)=34.0183 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.335 g/mol  logS: -3.82508  SlogP: 2.6137  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.266688  Sterimol/B1: 2.29825  Sterimol/B2: 3.82575  Sterimol/B3: 5.28649
  Sterimol/B4: 7.36819  Sterimol/L: 12.1248 
 
 Surface and Volume Properties
  Accessible surface: 482.846  Positive charged surface: 232.235  Negative charged surface: 250.611  Volume: 247.375
  Hydrophobic surface: 373.733  Hydrophilic surface: 109.113
 
 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.