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CHEMBRIDGE-ZINC00992896

 MMsINC code: MMs00650521
Type: Neutral
Formula: C26H25NO4
SMILES:   O(C(C(=O)c1cc(C)c(cc1)C)c1ccccc1)C(=O)c1ccc(NC(=O)CC)cc1
InChI:   InChI=1/C26H25NO4/c1-4-23(28)27-22-14-12-20(13-15-22)26(30)31-25(19-8-6-5-7-9-19)24(29)21-11-10-17(2)18(3)16-21/h5-16,25H,4H2,1-3H3,(H,27,28)/t25-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=126.094 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.489 g/mol  logS: -6.99282  SlogP: 5.52844  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0721404  Sterimol/B1: 2.95867  Sterimol/B2: 4.28885  Sterimol/B3: 6.11714
  Sterimol/B4: 7.66839  Sterimol/L: 21.2785 
 
 Surface and Volume Properties
  Accessible surface: 734.804  Positive charged surface: 429.913  Negative charged surface: 304.89  Volume: 412.625
  Hydrophobic surface: 614.557  Hydrophilic surface: 120.247
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.