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ENAMINE-ZINC03506897

 MMsINC code: MMs01480268
Type: Neutral
Formula: C26H28N2O6S
SMILES:   S(=O)(=O)(N(Cc1ccccc1)C)c1cc(ccc1OC)C(OCC(=O)NC(C)c1ccccc1)=
O
InChI:   InChI=1/C26H28N2O6S/c1-19(21-12-8-5-9-13-21)27-25(29)18-34-26(30)22-14-15-23(33-3)24(16-22)35(31,32)28(2)17-20-10-6-4-7-11-20/h4-16,19H,17-18H2,1-3H3,(H,27,29)/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.8211 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 496.584 g/mol  logS: -5.76613  SlogP: 3.912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0713511  Sterimol/B1: 2.51915  Sterimol/B2: 4.2095  Sterimol/B3: 6.35879
  Sterimol/B4: 7.11506  Sterimol/L: 21.4891 
 
 Surface and Volume Properties
  Accessible surface: 774.336  Positive charged surface: 477.5  Negative charged surface: 296.836  Volume: 460.375
  Hydrophobic surface: 618.24  Hydrophilic surface: 156.096
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.