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PUBCHEM-ZINC02840741

 MMsINC code: MMs02935132
Type: Neutral
Formula: C26H28N2O4
SMILES:   O(C)c1cc(ccc1OC)C(=O)Nc1ccc(cc1)C(=O)NC(CCc1ccccc1)C
InChI:   InChI=1/C26H28N2O4/c1-18(9-10-19-7-5-4-6-8-19)27-25(29)20-11-14-22(15-12-20)28-26(30)21-13-16-23(31-2)24(17-21)32-3/h4-8,11-18H,9-10H2,1-3H3,(H,27,29)(H,28,30)/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.142 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 432.52 g/mol  logS: -5.96011  SlogP: 4.70717  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0556474  Sterimol/B1: 2.30801  Sterimol/B2: 2.3798  Sterimol/B3: 6.98575
  Sterimol/B4: 8.65492  Sterimol/L: 23.0729 
 
 Surface and Volume Properties
  Accessible surface: 778.49  Positive charged surface: 504.939  Negative charged surface: 273.551  Volume: 432.625
  Hydrophobic surface: 672.895  Hydrophilic surface: 105.595
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.