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ENAMINE-ZINC03418731

 MMsINC code: MMs01430591
Type: Neutral
Formula: C19H21NO6
SMILES:   O(C)c1cc(ccc1OC)CNC(=O)COC(=O)c1ccc(cc1)CO
InChI:   InChI=1/C19H21NO6/c1-24-16-8-5-14(9-17(16)25-2)10-20-18(22)12-26-19(23)15-6-3-13(11-21)4-7-15/h3-9,21H,10-12H2,1-2H3,(H,20,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.8204 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.378 g/mol  logS: -3.57886  SlogP: 2.2021  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0372534  Sterimol/B1: 2.18409  Sterimol/B2: 3.67358  Sterimol/B3: 4.06849
  Sterimol/B4: 7.24622  Sterimol/L: 22.1308 
 
 Surface and Volume Properties
  Accessible surface: 678.023  Positive charged surface: 479.982  Negative charged surface: 198.041  Volume: 338.25
  Hydrophobic surface: 500.272  Hydrophilic surface: 177.751
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.