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ENAMINE-ZINC03887755

 MMsINC code: MMs01528912
Type: Ionized
Formula: C9H7F3NO4S-
SMILES:   S(=O)(=O)(NCC(F)(F)F)c1cc(ccc1)C(=O)[O-]
InChI:   InChI=1/C9H8F3NO4S/c10-9(11,12)5-13-18(16,17)7-3-1-2-6(4-7)8(14)15/h1-4,13H,5H2,(H,14,15)/p-1

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Potential Energy
Epot(MMFF94)=24.5849 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.218 g/mol  logS: -2.5357  SlogP: 0.3106  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156588  Sterimol/B1: 2.47511  Sterimol/B2: 3.25872  Sterimol/B3: 4.89816
  Sterimol/B4: 6.53632  Sterimol/L: 12.2943 
 
 Surface and Volume Properties
  Accessible surface: 425.926  Positive charged surface: 141.899  Negative charged surface: 284.027  Volume: 201.75
  Hydrophobic surface: 151.609  Hydrophilic surface: 274.317
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs01528911
ENAMINE-ZINC03887755