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ENAMINE-ZINC02654934

 MMsINC code: MMs01278138
Type: Neutral
Formula: C25H26N2O7S
SMILES:   S(=O)(=O)(N(C)c1ccc(OC)cc1)c1cc(ccc1)C(OCC(=O)NCc1ccccc1OC)=
O
InChI:   InChI=1/C25H26N2O7S/c1-27(20-11-13-21(32-2)14-12-20)35(30,31)22-9-6-8-18(15-22)25(29)34-17-24(28)26-16-19-7-4-5-10-23(19)33-3/h4-15H,16-17H2,1-3H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=115.28 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 498.556 g/mol  logS: -5.54526  SlogP: 3.2685  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0583917  Sterimol/B1: 2.24679  Sterimol/B2: 3.83279  Sterimol/B3: 6.83849
  Sterimol/B4: 7.2735  Sterimol/L: 23.8924 
 
 Surface and Volume Properties
  Accessible surface: 820.343  Positive charged surface: 532.922  Negative charged surface: 287.421  Volume: 453.875
  Hydrophobic surface: 659.364  Hydrophilic surface: 160.979
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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: 0
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Ions/Tautomers related molecules: no related molecules available.