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CHEMBRIDGE-ZINC02864881

 MMsINC code: MMs00729077
Type: Neutral
Formula: C26H28N2O2
SMILES:   O=C(NC(c1ccccc1)c1ccccc1)c1cc(NC(=O)C(CC)CC)ccc1
InChI:   InChI=1/C26H28N2O2/c1-3-19(4-2)25(29)27-23-17-11-16-22(18-23)26(30)28-24(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-19,24H,3-4H2,1-2H3,(H,27,29)(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.3786 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.522 g/mol  logS: -6.71024  SlogP: 5.6762  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0773257  Sterimol/B1: 4.69467  Sterimol/B2: 4.73678  Sterimol/B3: 5.23065
  Sterimol/B4: 6.57783  Sterimol/L: 19.4273 
 
 Surface and Volume Properties
  Accessible surface: 726.731  Positive charged surface: 428.608  Negative charged surface: 298.123  Volume: 414.75
  Hydrophobic surface: 624.168  Hydrophilic surface: 102.563
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.