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ENAMINE-ZINC03244949

 MMsINC code: MMs01327062
Type: Neutral
Formula: C24H27N3O3
SMILES:   O=C1N(CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)NC12CCCCCC2
InChI:   InChI=1/C24H27N3O3/c28-20(17-27-22(29)24(26-23(27)30)15-9-1-2-10-16-24)25-21(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,21H,1-2,9-10,15-17H2,(H,25,28)(H,26,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.462 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.498 g/mol  logS: -5.72922  SlogP: 3.6325  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0911522  Sterimol/B1: 2.50714  Sterimol/B2: 3.5134  Sterimol/B3: 4.62455
  Sterimol/B4: 8.46044  Sterimol/L: 18.0889 
 
 Surface and Volume Properties
  Accessible surface: 683.786  Positive charged surface: 409.866  Negative charged surface: 273.92  Volume: 393.75
  Hydrophobic surface: 578.948  Hydrophilic surface: 104.838
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.