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CHEMSTAR-ZINC03991806

 MMsINC code: MMs01086027
Type: Neutral
Formula: C23H18N2O3S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)C(=O)Nc1c2c(ccc1)cccc2)c1ccccc1
InChI:   InChI=1/C23H18N2O3S/c26-23(24-22-12-6-8-17-7-4-5-11-21(17)22)18-13-15-19(16-14-18)25-29(27,28)20-9-2-1-3-10-20/h1-16,25H,(H,24,26)

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Potential Energy
Epot(MMFF94)=101.873 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.474 g/mol  logS: -6.89459  SlogP: 4.8929  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0859785  Sterimol/B1: 2.35784  Sterimol/B2: 2.61256  Sterimol/B3: 6.43444
  Sterimol/B4: 6.87735  Sterimol/L: 17.1202 
 
 Surface and Volume Properties
  Accessible surface: 638.655  Positive charged surface: 317.704  Negative charged surface: 310.693  Volume: 364.25
  Hydrophobic surface: 525.742  Hydrophilic surface: 112.913
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.