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ENAMINE-ZINC03215777

 MMsINC code: MMs01309858
Type: Neutral
Formula: C25H27N3O4S
SMILES:   S(=O)(=O)(Nc1ccccc1C(=O)Nc1ccccc1N1CCOCC1)c1cc(ccc1C)C
InChI:   InChI=1/C25H27N3O4S/c1-18-11-12-19(2)24(17-18)33(30,31)27-21-8-4-3-7-20(21)25(29)26-22-9-5-6-10-23(22)28-13-15-32-16-14-28/h3-12,17,27H,13-16H2,1-2H3,(H,26,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=186.342 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 465.574 g/mol  logS: -5.86999  SlogP: 4.19314  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0688197  Sterimol/B1: 3.27261  Sterimol/B2: 3.85638  Sterimol/B3: 5.38354
  Sterimol/B4: 7.47198  Sterimol/L: 18.3712 
 
 Surface and Volume Properties
  Accessible surface: 722.644  Positive charged surface: 441.292  Negative charged surface: 281.352  Volume: 429.75
  Hydrophobic surface: 616.778  Hydrophilic surface: 105.866
 
 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.