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ENAMINE-ZINC05015449

 MMsINC code: MMs01574577
Type: Neutral
Formula: C24H29NO5
SMILES:   O(C)c1cc(ccc1OC)CCNC(=O)COC(=O)C1(CCCC1)c1ccccc1
InChI:   InChI=1/C24H29NO5/c1-28-20-11-10-18(16-21(20)29-2)12-15-25-22(26)17-30-23(27)24(13-6-7-14-24)19-8-4-3-5-9-19/h3-5,8-11,16H,6-7,12-15,17H2,1-2H3,(H,25,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=125.977 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.498 g/mol  logS: -5.26272  SlogP: 3.41767  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0488919  Sterimol/B1: 2.97674  Sterimol/B2: 4.12725  Sterimol/B3: 4.69194
  Sterimol/B4: 7.20651  Sterimol/L: 20.4047 
 
 Surface and Volume Properties
  Accessible surface: 750.644  Positive charged surface: 533.447  Negative charged surface: 217.197  Volume: 406
  Hydrophobic surface: 660.12  Hydrophilic surface: 90.524
 
 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.