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NCID-ZINC01866543

 MMsINC code: MMs02375339
Type: Neutral
Formula: C20H18N2O4S
SMILES:   S(=O)(=O)(Nc1ccccc1)NC(OC(c1ccccc1)c1ccccc1)=O
InChI:   InChI=1/C20H18N2O4S/c23-20(22-27(24,25)21-18-14-8-3-9-15-18)26-19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19,21H,(H,22,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.70747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.44 g/mol  logS: -5.11997  SlogP: 3.9546  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112586  Sterimol/B1: 2.74066  Sterimol/B2: 3.58286  Sterimol/B3: 3.93392
  Sterimol/B4: 9.23332  Sterimol/L: 15.8127 
 
 Surface and Volume Properties
  Accessible surface: 639.439  Positive charged surface: 318.506  Negative charged surface: 320.932  Volume: 347
  Hydrophobic surface: 512.41  Hydrophilic surface: 127.029
 
 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.