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ENAMINE-ZINC03348629

MMsINC code: MMs01388035

Type: Neutral
Formula: C20H23NO4
SMILES:   O(C)c1ccc(cc1)CC(OCC(=O)Nc1ccccc1C(C)C)=O
InChI:   InChI=1/C20H23NO4/c1-14(2)17-6-4-5-7-18(17)21-19(22)13-25-20(23)12-15-8-10-16(24-3)11-9-15/h4-11,14H,12-13H2,1-3H3,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=103.493 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.407 g/mol  logS: -5.0658  SlogP: 3.54297  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0392557  Sterimol/B1: 2.41951  Sterimol/B2: 2.56909  Sterimol/B3: 5.23178
  Sterimol/B4: 7.45939  Sterimol/L: 20.0819 
 
 Surface and Volume Properties
  Accessible surface: 651.884  Positive charged surface: 437.725  Negative charged surface: 214.16  Volume: 338.5
  Hydrophobic surface: 531.755  Hydrophilic surface: 120.129
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.