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CHEMBLOCK-ZINC00993502

 MMsINC code: MMs00510140
Type: Neutral
Formula: C8H7F3N2O3S
SMILES:   S(=O)(=O)(N)c1ccc(NC(=O)C(F)(F)F)cc1
InChI:   InChI=1/C8H7F3N2O3S/c9-8(10,11)7(14)13-5-1-3-6(4-2-5)17(12,15)16/h1-4H,(H,13,14)(H2,12,15,16)

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Potential Energy
Epot(MMFF94)=47.4426 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.215 g/mol  logS: -2.89657  SlogP: 1.2547  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0510643  Sterimol/B1: 2.66983  Sterimol/B2: 2.95844  Sterimol/B3: 3.11866
  Sterimol/B4: 4.86157  Sterimol/L: 13.2978 
 
 Surface and Volume Properties
  Accessible surface: 419.816  Positive charged surface: 154.069  Negative charged surface: 265.747  Volume: 188.125
  Hydrophobic surface: 130.633  Hydrophilic surface: 289.183
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00510141
CHEMBLOCK-ZINC00993502