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ENAMINE-ZINC06945658

 MMsINC code: MMs01715921
Type: Neutral
Formula: C24H24N2O2
SMILES:   O=C(NC(CC(=O)Nc1ccc(cc1C)C)c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H24N2O2/c1-17-13-14-21(18(2)15-17)25-23(27)16-22(19-9-5-3-6-10-19)26-24(28)20-11-7-4-8-12-20/h3-15,22H,16H2,1-2H3,(H,25,27)(H,26,28)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.0555 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.468 g/mol  logS: -5.81165  SlogP: 4.89884  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128453  Sterimol/B1: 3.09111  Sterimol/B2: 5.32061  Sterimol/B3: 6.42284
  Sterimol/B4: 6.66072  Sterimol/L: 16.8781 
 
 Surface and Volume Properties
  Accessible surface: 692.174  Positive charged surface: 397.894  Negative charged surface: 294.28  Volume: 379.125
  Hydrophobic surface: 642.9  Hydrophilic surface: 49.274
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.