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CHEMDIV-ZINC01209225

 MMsINC code: MMs00864338
Type: Neutral
Formula: C23H17N3O4S2
SMILES:   s1ccnc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)C(=O)c2ccccc2)cc1
InChI:   InChI=1/C23H17N3O4S2/c27-21(16-4-2-1-3-5-16)17-6-8-18(9-7-17)22(28)25-19-10-12-20(13-11-19)32(29,30)26-23-24-14-15-31-23/h1-15H,(H,24,26)(H,25,28)

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Potential Energy
Epot(MMFF94)=113.499 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 463.538 g/mol  logS: -6.56089  SlogP: 4.4272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0272083  Sterimol/B1: 3.33442  Sterimol/B2: 3.33796  Sterimol/B3: 3.99733
  Sterimol/B4: 7.72848  Sterimol/L: 20.0501 
 
 Surface and Volume Properties
  Accessible surface: 695.365  Positive charged surface: 350.286  Negative charged surface: 345.079  Volume: 398.375
  Hydrophobic surface: 509.439  Hydrophilic surface: 185.926
 
 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.