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ENAMINE-ZINC03477739

 MMsINC code: MMs01464346
Type: Neutral
Formula: C25H26N2O6S
SMILES:   S(=O)(=O)(N(C)c1ccccc1OC)c1ccc(cc1)C(OCC(=O)Nc1ccc(cc1)CC)=O
InChI:   InChI=1/C25H26N2O6S/c1-4-18-9-13-20(14-10-18)26-24(28)17-33-25(29)19-11-15-21(16-12-19)34(30,31)27(2)22-7-5-6-8-23(22)32-3/h5-16H,4,17H2,1-3H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=125.668 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 482.557 g/mol  logS: -6.53998  SlogP: 3.87817  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0438517  Sterimol/B1: 2.91577  Sterimol/B2: 3.93242  Sterimol/B3: 5.98714
  Sterimol/B4: 6.15493  Sterimol/L: 23.7148 
 
 Surface and Volume Properties
  Accessible surface: 774.265  Positive charged surface: 485.114  Negative charged surface: 289.151  Volume: 443.125
  Hydrophobic surface: 613.661  Hydrophilic surface: 160.604
 
 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.