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ENAMINE-ZINC03225419

 MMsINC code: MMs01315758
Type: Neutral
Formula: C23H29N3O4S
SMILES:   S(=O)(=O)(N1CCCCCC1)c1ccc(cc1)C(=O)Nc1ccccc1N1CCOCC1
InChI:   InChI=1/C23H29N3O4S/c27-23(24-21-7-3-4-8-22(21)25-15-17-30-18-16-25)19-9-11-20(12-10-19)31(28,29)26-13-5-1-2-6-14-26/h3-4,7-12H,1-2,5-6,13-18H2,(H,24,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=165.174 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 443.568 g/mol  logS: -4.44324  SlogP: 3.3402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0443566  Sterimol/B1: 2.51872  Sterimol/B2: 3.53944  Sterimol/B3: 4.48021
  Sterimol/B4: 8.55251  Sterimol/L: 19.2998 
 
 Surface and Volume Properties
  Accessible surface: 700.48  Positive charged surface: 475.336  Negative charged surface: 225.144  Volume: 412.875
  Hydrophobic surface: 603.025  Hydrophilic surface: 97.455
 
 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.