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ENAMINE-ZINC03884720

 MMsINC code: MMs01526782
Type: Neutral
Formula: C14H11F2NO4S2
SMILES:   S(C(F)F)c1ccc(NS(=O)(=O)c2ccc(cc2)C(O)=O)cc1
InChI:   InChI=1/C14H11F2NO4S2/c15-14(16)22-11-5-3-10(4-6-11)17-23(20,21)12-7-1-9(2-8-12)13(18)19/h1-8,14,17H,(H,18,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.5002 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.373 g/mol  logS: -4.12139  SlogP: 3.9202  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108858  Sterimol/B1: 2.58605  Sterimol/B2: 3.8237  Sterimol/B3: 5.05713
  Sterimol/B4: 6.58809  Sterimol/L: 14.9111 
 
 Surface and Volume Properties
  Accessible surface: 523.754  Positive charged surface: 236.36  Negative charged surface: 287.394  Volume: 281.75
  Hydrophobic surface: 233.562  Hydrophilic surface: 290.192
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs01526783
ENAMINE-ZINC03884720