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ENAMINE-ZINC03355929

 MMsINC code: MMs01392664
Type: Ionized
Formula: C9H7F3NO5S-
SMILES:   S(=O)(=O)(NCC(=O)[O-])c1ccc(OC(F)(F)F)cc1
InChI:   InChI=1/C9H8F3NO5S/c10-9(11,12)18-6-1-3-7(4-2-6)19(16,17)13-5-8(14)15/h1-4,13H,5H2,(H,14,15)/p-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.3799 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.217 g/mol  logS: -2.66848  SlogP: 0.0333  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150415  Sterimol/B1: 2.71058  Sterimol/B2: 3.42287  Sterimol/B3: 4.75542
  Sterimol/B4: 5.33084  Sterimol/L: 12.3529 
 
 Surface and Volume Properties
  Accessible surface: 435.656  Positive charged surface: 144.745  Negative charged surface: 290.91  Volume: 208
  Hydrophobic surface: 151.61  Hydrophilic surface: 284.046
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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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MMs01392663
ENAMINE-ZINC03355929