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ENAMINE-ZINC03427320

 MMsINC code: MMs01435359
Type: Neutral
Formula: C24H25N3O5S
SMILES:   S(=O)(=O)(N(C)C)c1cc(ccc1)C(=O)NNC(=O)COc1ccccc1Cc1ccccc1
InChI:   InChI=1/C24H25N3O5S/c1-27(2)33(30,31)21-13-8-12-20(16-21)24(29)26-25-23(28)17-32-22-14-7-6-11-19(22)15-18-9-4-3-5-10-18/h3-14,16H,15,17H2,1-2H3,(H,25,28)(H,26,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.758 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 467.546 g/mol  logS: -5.37671  SlogP: 2.36767  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0263671  Sterimol/B1: 3.67133  Sterimol/B2: 3.92187  Sterimol/B3: 4.12353
  Sterimol/B4: 7.7452  Sterimol/L: 21.1258 
 
 Surface and Volume Properties
  Accessible surface: 766.109  Positive charged surface: 461.367  Negative charged surface: 304.742  Volume: 432.25
  Hydrophobic surface: 613.787  Hydrophilic surface: 152.322
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.