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ENAMINE-ZINC03487297

 MMsINC code: MMs01469158
Type: Neutral
Formula: C25H24N2O5S
SMILES:   S(=O)(=O)(N(C)c1ccc(cc1)C)c1cc(ccc1)C(OCC(=O)N1CCc2c1cccc2)=
O
InChI:   InChI=1/C25H24N2O5S/c1-18-10-12-21(13-11-18)26(2)33(30,31)22-8-5-7-20(16-22)25(29)32-17-24(28)27-15-14-19-6-3-4-9-23(19)27/h3-13,16H,14-15,17H2,1-2H3

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Potential Energy
Epot(MMFF94)=124.014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 464.542 g/mol  logS: -6.05226  SlogP: 3.56619  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0425012  Sterimol/B1: 1.98933  Sterimol/B2: 3.12575  Sterimol/B3: 4.86644
  Sterimol/B4: 11.2232  Sterimol/L: 18.4711 
 
 Surface and Volume Properties
  Accessible surface: 758.989  Positive charged surface: 452.489  Negative charged surface: 306.5  Volume: 424.5
  Hydrophobic surface: 635.159  Hydrophilic surface: 123.83
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.