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ENAMINE-ZINC05256556

 MMsINC code: MMs01602320
Type: Neutral
Formula: C26H28N2O3
SMILES:   O(CC(=O)NC(CCc1ccccc1)C)c1cc(ccc1)C(=O)NCc1ccccc1
InChI:   InChI=1/C26H28N2O3/c1-20(15-16-21-9-4-2-5-10-21)28-25(29)19-31-24-14-8-13-23(17-24)26(30)27-18-22-11-6-3-7-12-22/h2-14,17,20H,15-16,18-19H2,1H3,(H,27,30)(H,28,29)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.5607 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.521 g/mol  logS: -5.88021  SlogP: 4.39927  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0267339  Sterimol/B1: 2.10311  Sterimol/B2: 2.72606  Sterimol/B3: 4.52522
  Sterimol/B4: 8.28375  Sterimol/L: 24.6126 
 
 Surface and Volume Properties
  Accessible surface: 787.071  Positive charged surface: 469.866  Negative charged surface: 317.204  Volume: 423.5
  Hydrophobic surface: 671.825  Hydrophilic surface: 115.246
 
 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.