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ENAMINE-ZINC00074577

 MMsINC code: MMs01223136
Type: Ionized
Formula: C10H8ClF3NO4S-
SMILES:   Clc1ccc(S(=O)(=O)NC(C(=O)[O-])C)cc1C(F)(F)F
InChI:   InChI=1/C10H9ClF3NO4S/c1-5(9(16)17)15-20(18,19)6-2-3-8(11)7(4-6)10(12,13)14/h2-5,15H,1H3,(H,16,17)/p-1/t5-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.5224 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.69 g/mol  logS: -3.5972  SlogP: 1.087  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.20268  Sterimol/B1: 3.25843  Sterimol/B2: 3.73827  Sterimol/B3: 4.71687
  Sterimol/B4: 5.32702  Sterimol/L: 12.2285 
 
 Surface and Volume Properties
  Accessible surface: 453.002  Positive charged surface: 134.486  Negative charged surface: 318.516  Volume: 234.5
  Hydrophobic surface: 198.643  Hydrophilic surface: 254.359
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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:


MMs01223135
ENAMINE-ZINC00074577