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ENAMINE-ZINC03265989

 MMsINC code: MMs01339679
Type: Neutral
Formula: C24H24N2O3
SMILES:   O(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)Nc1cc(ccc1)C
InChI:   InChI=1/C24H24N2O3/c1-18-9-8-14-21(15-18)25-23(27)22(16-19-10-4-2-5-11-19)26-24(28)29-17-20-12-6-3-7-13-20/h2-15,22H,16-17H2,1H3,(H,25,27)(H,26,28)/t22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.842 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.467 g/mol  logS: -5.90755  SlogP: 4.73759  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0414229  Sterimol/B1: 3.00191  Sterimol/B2: 4.11145  Sterimol/B3: 5.29235
  Sterimol/B4: 6.9292  Sterimol/L: 19.6607 
 
 Surface and Volume Properties
  Accessible surface: 686.026  Positive charged surface: 404.107  Negative charged surface: 281.919  Volume: 388.625
  Hydrophobic surface: 607.448  Hydrophilic surface: 78.578
 
 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.