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ENAMINE-ZINC03416806

 MMsINC code: MMs01429403
Type: Neutral
Formula: C24H25N3O4S
SMILES:   S(=O)(=O)(N(C)c1ccccc1)c1ccccc1C(=O)NCC(=O)Nc1ccccc1CC
InChI:   InChI=1/C24H25N3O4S/c1-3-18-11-7-9-15-21(18)26-23(28)17-25-24(29)20-14-8-10-16-22(20)32(30,31)27(2)19-12-5-4-6-13-19/h4-16H,3,17H2,1-2H3,(H,25,29)(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=127.376 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 451.547 g/mol  logS: -5.94055  SlogP: 3.44257  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0681056  Sterimol/B1: 2.41671  Sterimol/B2: 4.50443  Sterimol/B3: 5.21052
  Sterimol/B4: 9.01563  Sterimol/L: 20.2229 
 
 Surface and Volume Properties
  Accessible surface: 725.681  Positive charged surface: 426.593  Negative charged surface: 299.088  Volume: 420.25
  Hydrophobic surface: 602.213  Hydrophilic surface: 123.468
 
 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.