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ENAMINE-ZINC03371227

 MMsINC code: MMs01401973
Type: Neutral
Formula: C25H27N3O4S
SMILES:   S(=O)(=O)(N1CCN(CC1)c1ccccc1)c1cc(ccc1)C(=O)NCc1ccccc1OC
InChI:   InChI=1/C25H27N3O4S/c1-32-24-13-6-5-8-21(24)19-26-25(29)20-9-7-12-23(18-20)33(30,31)28-16-14-27(15-17-28)22-10-3-2-4-11-22/h2-13,18H,14-17,19H2,1H3,(H,26,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=154.948 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 465.574 g/mol  logS: -5.13344  SlogP: 3.4025  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0476819  Sterimol/B1: 2.84276  Sterimol/B2: 3.63943  Sterimol/B3: 5.24233
  Sterimol/B4: 6.1489  Sterimol/L: 22.7856 
 
 Surface and Volume Properties
  Accessible surface: 768.257  Positive charged surface: 481.848  Negative charged surface: 286.409  Volume: 437
  Hydrophobic surface: 655.658  Hydrophilic surface: 112.599
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.