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ENAMINE-ZINC06940460

 MMsINC code: MMs01714857
Type: Neutral
Formula: C19H17NO4
SMILES:   o1nc(cc1C)COC(=O)c1ccc(OCc2ccccc2)cc1
InChI:   InChI=1/C19H17NO4/c1-14-11-17(20-24-14)13-23-19(21)16-7-9-18(10-8-16)22-12-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.3818 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.348 g/mol  logS: -4.46545  SlogP: 4.45182  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0282525  Sterimol/B1: 1.969  Sterimol/B2: 3.61546  Sterimol/B3: 3.61925
  Sterimol/B4: 8.49086  Sterimol/L: 19.2684 
 
 Surface and Volume Properties
  Accessible surface: 616.08  Positive charged surface: 329.643  Negative charged surface: 286.436  Volume: 312.25
  Hydrophobic surface: 536.81  Hydrophilic surface: 79.27
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.