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ENAMINE-ZINC03430684

 MMsINC code: MMs01437356
Type: Neutral
Formula: C24H25N3O6S
SMILES:   S(=O)(=O)(N(C)C)c1ccc(cc1)C(=O)NNC(=O)c1ccccc1OCCOc1ccccc1
InChI:   InChI=1/C24H25N3O6S/c1-27(2)34(30,31)20-14-12-18(13-15-20)23(28)25-26-24(29)21-10-6-7-11-22(21)33-17-16-32-19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3,(H,25,28)(H,26,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=128.582 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 483.545 g/mol  logS: -5.39206  SlogP: 2.4695  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0336928  Sterimol/B1: 2.98781  Sterimol/B2: 4.51996  Sterimol/B3: 5.61753
  Sterimol/B4: 10.3094  Sterimol/L: 18.7149 
 
 Surface and Volume Properties
  Accessible surface: 801.583  Positive charged surface: 487.028  Negative charged surface: 314.555  Volume: 438.625
  Hydrophobic surface: 654.495  Hydrophilic surface: 147.088
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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: 0
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Ions/Tautomers related molecules: no related molecules available.