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ASINEX-ZINC00235403

 MMsINC code: MMs00095556
Type: Neutral
Formula: C16H10FNO3S2
SMILES:   s1cccc1-c1csc(NC(=O)c2ccc(F)cc2)c1C(O)=O
InChI:   InChI=1/C16H10FNO3S2/c17-10-5-3-9(4-6-10)14(19)18-15-13(16(20)21)11(8-23-15)12-2-1-7-22-12/h1-8H,(H,18,19)(H,20,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.3338 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.39 g/mol  logS: -5.63319  SlogP: 4.5662  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.016663  Sterimol/B1: 2.48224  Sterimol/B2: 3.87057  Sterimol/B3: 4.37964
  Sterimol/B4: 4.58677  Sterimol/L: 17.296 
 
 Surface and Volume Properties
  Accessible surface: 552.395  Positive charged surface: 225.577  Negative charged surface: 326.818  Volume: 287.75
  Hydrophobic surface: 441.845  Hydrophilic surface: 110.55
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs00095557
ASINEX-ZINC00235403