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CHEMBRIDGE-ZINC01911481

 MMsINC code: MMs00699891
Type: Neutral
Formula: C26H28N2O3
SMILES:   O(CC(=O)Nc1ccc(cc1)CCCC)c1ccc(cc1)C(=O)NCc1ccccc1
InChI:   InChI=1/C26H28N2O3/c1-2-3-7-20-10-14-23(15-11-20)28-25(29)19-31-24-16-12-22(13-17-24)26(30)27-18-21-8-5-4-6-9-21/h4-6,8-17H,2-3,7,18-19H2,1H3,(H,27,30)(H,28,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.5143 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.521 g/mol  logS: -7.3653  SlogP: 5.24307  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0215694  Sterimol/B1: 2.4578  Sterimol/B2: 4.22958  Sterimol/B3: 5.08908
  Sterimol/B4: 6.95644  Sterimol/L: 25.1977 
 
 Surface and Volume Properties
  Accessible surface: 796.873  Positive charged surface: 498.452  Negative charged surface: 298.421  Volume: 424
  Hydrophobic surface: 671.568  Hydrophilic surface: 125.305
 
 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.