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ENAMINE-ZINC01769936

 MMsINC code: MMs01244062
Type: Neutral
Formula: C19H14N4O5S2
SMILES:   s1ccnc1NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)c3c(cccc3)C2=O)cc1
InChI:   InChI=1/C19H14N4O5S2/c24-16(11-23-17(25)14-3-1-2-4-15(14)18(23)26)21-12-5-7-13(8-6-12)30(27,28)22-19-20-9-10-29-19/h1-10H,11H2,(H,20,22)(H,21,24)

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Potential Energy
Epot(MMFF94)=64.6434 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 442.476 g/mol  logS: -5.06437  SlogP: 2.1786  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0531527  Sterimol/B1: 3.42562  Sterimol/B2: 4.17631  Sterimol/B3: 4.62669
  Sterimol/B4: 5.27353  Sterimol/L: 19.7721 
 
 Surface and Volume Properties
  Accessible surface: 658.326  Positive charged surface: 344.628  Negative charged surface: 313.698  Volume: 357.875
  Hydrophobic surface: 423.02  Hydrophilic surface: 235.306
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.