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PUBCHEM-ZINC00673934

 MMsINC code: MMs02725094
Type: Neutral
Formula: C22H18N2O4S
SMILES:   S(=O)(=O)(Nc1ccc(cc1C)C)c1ccc(N2C(=O)c3c(cccc3)C2=O)cc1
InChI:   InChI=1/C22H18N2O4S/c1-14-7-12-20(15(2)13-14)23-29(27,28)17-10-8-16(9-11-17)24-21(25)18-5-3-4-6-19(18)22(24)26/h3-13,23H,1-2H3

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Potential Energy
Epot(MMFF94)=95.0412 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.462 g/mol  logS: -6.05482  SlogP: 3.90484  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109617  Sterimol/B1: 1.99926  Sterimol/B2: 4.29404  Sterimol/B3: 4.79925
  Sterimol/B4: 9.41559  Sterimol/L: 16.4242 
 
 Surface and Volume Properties
  Accessible surface: 628.611  Positive charged surface: 323.94  Negative charged surface: 304.671  Volume: 359.625
  Hydrophobic surface: 484.855  Hydrophilic surface: 143.756
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.