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ENAMINE-ZINC01425939

 MMsINC code: MMs01239993
Type: Neutral
Formula: C26H27N3O5S
SMILES:   S(=O)(=O)(N1CCOCC1)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1
InChI:   InChI=1/C26H27N3O5S/c30-25(21-10-12-22(13-11-21)35(32,33)29-16-18-34-19-17-29)28-24-9-5-4-8-23(24)26(31)27-15-14-20-6-2-1-3-7-20/h1-13H,14-19H2,(H,27,31)(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=124.069 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 493.584 g/mol  logS: -5.53541  SlogP: 2.93227  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0444399  Sterimol/B1: 2.53715  Sterimol/B2: 3.97943  Sterimol/B3: 4.35366
  Sterimol/B4: 12.8948  Sterimol/L: 19.9702 
 
 Surface and Volume Properties
  Accessible surface: 798.499  Positive charged surface: 495.701  Negative charged surface: 302.798  Volume: 453.625
  Hydrophobic surface: 668.138  Hydrophilic surface: 130.361
 
 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.