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ENAMINE-ZINC05578819

 MMsINC code: MMs01625581
Type: Neutral
Formula: C23H26N4O4
SMILES:   O(C)c1ccc(cc1)CC(=O)N(CCC)C=1C(=O)NC(=O)N(Cc2ccccc2)C=1N
InChI:   InChI=1/C23H26N4O4/c1-3-13-26(19(28)14-16-9-11-18(31-2)12-10-16)20-21(24)27(23(30)25-22(20)29)15-17-7-5-4-6-8-17/h4-12H,3,13-15,24H2,1-2H3,(H,25,29,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.1243 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.485 g/mol  logS: -4.66194  SlogP: 2.62247  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13322  Sterimol/B1: 2.29283  Sterimol/B2: 3.45887  Sterimol/B3: 5.71533
  Sterimol/B4: 11.604  Sterimol/L: 16.7304 
 
 Surface and Volume Properties
  Accessible surface: 702.127  Positive charged surface: 456.837  Negative charged surface: 245.29  Volume: 404.625
  Hydrophobic surface: 519.444  Hydrophilic surface: 182.683
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.