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ENAMINE-ZINC05017691

 MMsINC code: MMs01575319
Type: Neutral
Formula: C24H24N2O4
SMILES:   O(C(=O)c1ccccc1NC(=O)Cc1c2c(ccc1)cccc2)CC(=O)NC(C)C
InChI:   InChI=1/C24H24N2O4/c1-16(2)25-23(28)15-30-24(29)20-12-5-6-13-21(20)26-22(27)14-18-10-7-9-17-8-3-4-11-19(17)18/h3-13,16H,14-15H2,1-2H3,(H,25,28)(H,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.412 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.466 g/mol  logS: -6.50294  SlogP: 3.70237  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0520742  Sterimol/B1: 3.4852  Sterimol/B2: 4.56794  Sterimol/B3: 5.3062
  Sterimol/B4: 6.72474  Sterimol/L: 20.3097 
 
 Surface and Volume Properties
  Accessible surface: 715.719  Positive charged surface: 440.524  Negative charged surface: 267.477  Volume: 391.375
  Hydrophobic surface: 575.488  Hydrophilic surface: 140.231
 
 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.