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PUBCHEM-ZINC00743340

 MMsINC code: MMs02735752
Type: Neutral
Formula: C25H26N2O4
SMILES:   O(c1ccc(NC(=O)C(NC(=O)c2ccc(OC)cc2)C(C)C)cc1)c1ccccc1
InChI:   InChI=1/C25H26N2O4/c1-17(2)23(27-24(28)18-9-13-20(30-3)14-10-18)25(29)26-19-11-15-22(16-12-19)31-21-7-5-4-6-8-21/h4-17,23H,1-3H3,(H,26,29)(H,27,28)/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=139.79 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.493 g/mol  logS: -6.09128  SlogP: 4.8806  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0489767  Sterimol/B1: 2.14324  Sterimol/B2: 3.32766  Sterimol/B3: 4.72701
  Sterimol/B4: 9.90142  Sterimol/L: 19.7796 
 
 Surface and Volume Properties
  Accessible surface: 729.193  Positive charged surface: 450.55  Negative charged surface: 278.643  Volume: 412.375
  Hydrophobic surface: 627.755  Hydrophilic surface: 101.438
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.