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ENAMINE-ZINC03186063

 MMsINC code: MMs01299443
Type: Ionized
Formula: C14H10F2NO4S2-
SMILES:   S(C(F)F)c1ccc(NS(=O)(=O)c2cc(ccc2)C(=O)[O-])cc1
InChI:   InChI=1/C14H11F2NO4S2/c15-14(16)22-11-6-4-10(5-7-11)17-23(20,21)12-3-1-2-9(8-12)13(18)19/h1-8,14,17H,(H,18,19)/p-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.9715 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.365 g/mol  logS: -4.38184  SlogP: 2.5855  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176857  Sterimol/B1: 2.76501  Sterimol/B2: 5.30106  Sterimol/B3: 5.40491
  Sterimol/B4: 5.56944  Sterimol/L: 13.5702 
 
 Surface and Volume Properties
  Accessible surface: 514.537  Positive charged surface: 200.293  Negative charged surface: 314.244  Volume: 279.875
  Hydrophobic surface: 233.826  Hydrophilic surface: 280.711
 
 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:


MMs01299442
ENAMINE-ZINC03186063