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ENAMINE-ZINC06510396

 MMsINC code: MMs01666887
Type: Neutral
Formula: C26H28N2O3
SMILES:   O(CC(=O)Nc1c(cccc1CC)CC)c1ccc(NC(=O)c2cc(ccc2)C)cc1
InChI:   InChI=1/C26H28N2O3/c1-4-19-9-7-10-20(5-2)25(19)28-24(29)17-31-23-14-12-22(13-15-23)27-26(30)21-11-6-8-18(3)16-21/h6-16H,4-5,17H2,1-3H3,(H,27,30)(H,28,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=143.562 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.521 g/mol  logS: -7.22698  SlogP: 5.38956  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0241086  Sterimol/B1: 2.35147  Sterimol/B2: 3.40504  Sterimol/B3: 4.02613
  Sterimol/B4: 9.00521  Sterimol/L: 22.6308 
 
 Surface and Volume Properties
  Accessible surface: 762.506  Positive charged surface: 457.024  Negative charged surface: 305.482  Volume: 421.875
  Hydrophobic surface: 644.902  Hydrophilic surface: 117.604
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.