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ENAMINE-ZINC06948522

 MMsINC code: MMs01716639
Type: Neutral
Formula: C24H23NO2
SMILES:   O(Cc1ccccc1)c1ccccc1C(=O)NC1CCCc2c1cccc2
InChI:   InChI=1/C24H23NO2/c26-24(25-22-15-8-12-19-11-4-5-13-20(19)22)21-14-6-7-16-23(21)27-17-18-9-2-1-3-10-18/h1-7,9-11,13-14,16,22H,8,12,15,17H2,(H,25,26)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.128 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.453 g/mol  logS: -6.01805  SlogP: 5.43487  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149485  Sterimol/B1: 2.49654  Sterimol/B2: 3.48632  Sterimol/B3: 5.56798
  Sterimol/B4: 10.292  Sterimol/L: 14.6044 
 
 Surface and Volume Properties
  Accessible surface: 648.896  Positive charged surface: 389.414  Negative charged surface: 259.482  Volume: 363.375
  Hydrophobic surface: 622.76  Hydrophilic surface: 26.136
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.