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CHEMBRIDGE-ZINC02983481

 MMsINC code: MMs00745100
Type: Neutral
Formula: C23H18N2O4S2
SMILES:   s1cccc1C(=O)Nc1ccc(cc1O)Cc1cc(O)c(NC(=O)c2sccc2)cc1
InChI:   InChI=1/C23H18N2O4S2/c26-18-12-14(5-7-16(18)24-22(28)20-3-1-9-30-20)11-15-6-8-17(19(27)13-15)25-23(29)21-4-2-10-31-21/h1-10,12-13,26-27H,11H2,(H,24,28)(H,25,29)

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Potential Energy
Epot(MMFF94)=111.867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 450.539 g/mol  logS: -6.33068  SlogP: 5.31617  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0640068  Sterimol/B1: 2.92463  Sterimol/B2: 3.98632  Sterimol/B3: 5.07658
  Sterimol/B4: 6.78534  Sterimol/L: 22.8366 
 
 Surface and Volume Properties
  Accessible surface: 718.682  Positive charged surface: 358.643  Negative charged surface: 360.039  Volume: 398.5
  Hydrophobic surface: 553.683  Hydrophilic surface: 164.999
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.