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ENAMINE-ZINC05785698

 MMsINC code: MMs01638332
Type: Neutral
Formula: C24H29NO5
SMILES:   O(CCOc1ccccc1)c1ccccc1C(OCC(=O)NC1CCCCCC1)=O
InChI:   InChI=1/C24H29NO5/c26-23(25-19-10-4-1-2-5-11-19)18-30-24(27)21-14-8-9-15-22(21)29-17-16-28-20-12-6-3-7-13-20/h3,6-9,12-15,19H,1-2,4-5,10-11,16-18H2,(H,25,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=113.521 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.498 g/mol  logS: -5.82064  SlogP: 4.1402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0375858  Sterimol/B1: 2.49764  Sterimol/B2: 3.56635  Sterimol/B3: 3.81168
  Sterimol/B4: 11.9157  Sterimol/L: 19.5804 
 
 Surface and Volume Properties
  Accessible surface: 755.839  Positive charged surface: 511.695  Negative charged surface: 244.144  Volume: 407.25
  Hydrophobic surface: 678.054  Hydrophilic surface: 77.785
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.