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ENAMINE-ZINC05787361

 MMsINC code: MMs01638619
Type: Neutral
Formula: C23H27NO5
SMILES:   O(CCOc1ccccc1)c1ccccc1C(OCC(=O)NC1CCCCC1)=O
InChI:   InChI=1/C23H27NO5/c25-22(24-18-9-3-1-4-10-18)17-29-23(26)20-13-7-8-14-21(20)28-16-15-27-19-11-5-2-6-12-19/h2,5-8,11-14,18H,1,3-4,9-10,15-17H2,(H,24,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.5172 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.471 g/mol  logS: -5.30542  SlogP: 3.7501  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0376669  Sterimol/B1: 2.50672  Sterimol/B2: 3.53467  Sterimol/B3: 3.94997
  Sterimol/B4: 12.0297  Sterimol/L: 19.2375 
 
 Surface and Volume Properties
  Accessible surface: 736.692  Positive charged surface: 501.992  Negative charged surface: 234.7  Volume: 389.375
  Hydrophobic surface: 657.143  Hydrophilic surface: 79.549
 
 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.