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ENAMINE-ZINC03609868

 MMsINC code: MMs01523655
Type: Neutral
Formula: C24H24N2O4
SMILES:   O(CC(=O)Nc1ccccc1C(=O)NC(C)c1ccccc1)c1ccccc1OC
InChI:   InChI=1/C24H24N2O4/c1-17(18-10-4-3-5-11-18)25-24(28)19-12-6-7-13-20(19)26-23(27)16-30-22-15-9-8-14-21(22)29-2/h3-15,17H,16H2,1-2H3,(H,25,28)(H,26,27)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=126.86 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.466 g/mol  logS: -5.72331  SlogP: 4.2992  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0588979  Sterimol/B1: 2.08879  Sterimol/B2: 3.52448  Sterimol/B3: 6.10778
  Sterimol/B4: 8.36646  Sterimol/L: 19.9098 
 
 Surface and Volume Properties
  Accessible surface: 730.458  Positive charged surface: 445.691  Negative charged surface: 284.767  Volume: 392.75
  Hydrophobic surface: 637.399  Hydrophilic surface: 93.059
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.