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AURORAFEINCHEMIE-ZINC06665673

MMsINC code: MMs00477973

Type: Neutral
Formula: C19H17NO4
SMILES:   o1c-2c(c3cc(OC)ccc13)C(=O)N(c1cc(OC)ccc1-2)CC
InChI:   InChI=1/C19H17NO4/c1-4-20-15-10-12(23-3)5-7-13(15)18-17(19(20)21)14-9-11(22-2)6-8-16(14)24-18/h5-10H,4H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=89.2905 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.348 g/mol  logS: -5.87186  SlogP: 4.0971  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0174604  Sterimol/B1: 2.07503  Sterimol/B2: 2.43139  Sterimol/B3: 3.4474
  Sterimol/B4: 8.08154  Sterimol/L: 18.0684 
 
 Surface and Volume Properties
  Accessible surface: 559.898  Positive charged surface: 389.578  Negative charged surface: 164.356  Volume: 303
  Hydrophobic surface: 481.81  Hydrophilic surface: 78.088
 
 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.