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ENAMINE-ZINC01895164

 MMsINC code: MMs01245363
Type: Neutral
Formula: C15H12FN3O4S3
SMILES:   s1ccnc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChI:   InChI=1/C15H12FN3O4S3/c16-11-1-5-13(6-2-11)25(20,21)18-12-3-7-14(8-4-12)26(22,23)19-15-17-9-10-24-15/h1-10,18H,(H,17,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.3407 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.474 g/mol  logS: -4.47491  SlogP: 2.8838  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115365  Sterimol/B1: 2.41918  Sterimol/B2: 5.03166  Sterimol/B3: 5.14108
  Sterimol/B4: 5.88681  Sterimol/L: 16.2382 
 
 Surface and Volume Properties
  Accessible surface: 576.132  Positive charged surface: 269.492  Negative charged surface: 306.639  Volume: 317
  Hydrophobic surface: 381.946  Hydrophilic surface: 194.186
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: no related molecules available.