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ENAMINE-ZINC03487287

 MMsINC code: MMs01469148
Type: Neutral
Formula: C25H26N2O6S
SMILES:   S(=O)(=O)(N(C)c1ccc(cc1)C)c1cc(ccc1)C(OCC(=O)Nc1cc(ccc1OC)C)
=O
InChI:   InChI=1/C25H26N2O6S/c1-17-8-11-20(12-9-17)27(3)34(30,31)21-7-5-6-19(15-21)25(29)33-16-24(28)26-22-14-18(2)10-13-23(22)32-4/h5-15H,16H2,1-4H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=128.125 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 482.557 g/mol  logS: -6.49868  SlogP: 3.93264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0276962  Sterimol/B1: 1.969  Sterimol/B2: 3.30076  Sterimol/B3: 4.35003
  Sterimol/B4: 10.4176  Sterimol/L: 19.7663 
 
 Surface and Volume Properties
  Accessible surface: 795.568  Positive charged surface: 507.907  Negative charged surface: 287.661  Volume: 444.75
  Hydrophobic surface: 660.929  Hydrophilic surface: 134.639
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.