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ENAMINE-ZINC03477584

MMsINC code: MMs01464250

Type: Neutral
Formula: C24H24N2O6S
SMILES:   S(=O)(=O)(N(C)c1ccccc1OC)c1ccc(cc1)C(OC(C(=O)Nc1ccccc1)C)=O
InChI:   InChI=1/C24H24N2O6S/c1-17(23(27)25-19-9-5-4-6-10-19)32-24(28)18-13-15-20(16-14-18)33(29,30)26(2)21-11-7-8-12-22(21)31-3/h4-17H,1-3H3,(H,25,27)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=127.567 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 468.53 g/mol  logS: -5.87805  SlogP: 3.7043  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0349552  Sterimol/B1: 2.13263  Sterimol/B2: 2.47554  Sterimol/B3: 5.36233
  Sterimol/B4: 7.48737  Sterimol/L: 22.0809 
 
 Surface and Volume Properties
  Accessible surface: 736.857  Positive charged surface: 436.84  Negative charged surface: 300.017  Volume: 428.25
  Hydrophobic surface: 596.258  Hydrophilic surface: 140.599
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.