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ENAMINE-ZINC06832879

 MMsINC code: MMs01701824
Type: Neutral
Formula: C24H24N2O2
SMILES:   O=C(NC(CC(=O)NCc1ccc(cc1)C)c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H24N2O2/c1-18-12-14-19(15-13-18)17-25-23(27)16-22(20-8-4-2-5-9-20)26-24(28)21-10-6-3-7-11-21/h2-15,22H,16-17H2,1H3,(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)=67.5789 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.468 g/mol  logS: -5.59522  SlogP: 4.53452  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.075624  Sterimol/B1: 3.49351  Sterimol/B2: 4.45074  Sterimol/B3: 6.73476
  Sterimol/B4: 6.90868  Sterimol/L: 17.8999 
 
 Surface and Volume Properties
  Accessible surface: 705.584  Positive charged surface: 407.875  Negative charged surface: 297.709  Volume: 381.75
  Hydrophobic surface: 636.572  Hydrophilic surface: 69.012
 
 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.