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PUBCHEM-ZINC03654264

 MMsINC code: MMs03034934
Type: Neutral
Formula: C19H18N2O4S
SMILES:   S(=O)(=O)(c1c2cc(ccc2[nH]c1C(=O)N)C(=O)C)c1cc(cc(c1)C)C
InChI:   InChI=1/C19H18N2O4S/c1-10-6-11(2)8-14(7-10)26(24,25)18-15-9-13(12(3)22)4-5-16(15)21-17(18)19(20)23/h4-9,21H,1-3H3,(H2,20,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.1773 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.429 g/mol  logS: -5.30448  SlogP: 2.91904  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106008  Sterimol/B1: 2.24999  Sterimol/B2: 2.46033  Sterimol/B3: 5.45715
  Sterimol/B4: 10.1824  Sterimol/L: 15.02 
 
 Surface and Volume Properties
  Accessible surface: 589.908  Positive charged surface: 317.555  Negative charged surface: 268.162  Volume: 331.25
  Hydrophobic surface: 397.133  Hydrophilic surface: 192.775
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.