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PUBCHEM-ZINC01329767

MMsINC code: MMs02797331

Type: Neutral
Formula: C23H20N4O4S2
SMILES:   S(CC(=O)N(c1ccccc1)c1ccccc1)c1oc(nn1)-c1ccc(NS(=O)(=O)C)cc1
InChI:   InChI=1/C23H20N4O4S2/c1-33(29,30)26-18-14-12-17(13-15-18)22-24-25-23(31-22)32-16-21(28)27(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,26H,16H2,1H3

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Potential Energy
Epot(MMFF94)=127.263 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 480.569 g/mol  logS: -8.52733  SlogP: 4.5651  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0387246  Sterimol/B1: 2.37432  Sterimol/B2: 4.60917  Sterimol/B3: 5.24957
  Sterimol/B4: 5.90113  Sterimol/L: 23.1622 
 
 Surface and Volume Properties
  Accessible surface: 764.749  Positive charged surface: 378.998  Negative charged surface: 385.75  Volume: 422.625
  Hydrophobic surface: 538.146  Hydrophilic surface: 226.603
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0

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Ions/Tautomers related molecules: no related molecules available.