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MAYBRIDGE-ZINC01033997

 MMsINC code: MMs02150547
Type: Neutral
Formula: C13H11F3N2O4S2
SMILES:   S(=O)(=O)(Nc1ccc(S(=O)(=O)N)cc1)c1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C13H11F3N2O4S2/c14-13(15,16)9-2-1-3-12(8-9)24(21,22)18-10-4-6-11(7-5-10)23(17,19)20/h1-8,18H,(H2,17,19,20)

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Potential Energy
Epot(MMFF94)=25.0833 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.367 g/mol  logS: -4.32988  SlogP: 2.4651  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156837  Sterimol/B1: 2.32982  Sterimol/B2: 5.13318  Sterimol/B3: 5.29821
  Sterimol/B4: 5.39511  Sterimol/L: 13.6027 
 
 Surface and Volume Properties
  Accessible surface: 522.365  Positive charged surface: 210.663  Negative charged surface: 311.702  Volume: 280.5
  Hydrophobic surface: 212.4  Hydrophilic surface: 309.965
 
 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


MMs02150548
MAYBRIDGE-ZINC01033997