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AURORAFEINCHEMIE-ZINC02552264

 MMsINC code: MMs00454574
Type: Neutral
Formula: C19H17NO4
SMILES:   o1c-2c(c3c1cc(OC)cc3)C(=O)N(c1cc(OC)ccc1-2)CC
InChI:   InChI=1/C19H17NO4/c1-4-20-15-9-11(22-2)5-7-13(15)18-17(19(20)21)14-8-6-12(23-3)10-16(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)=89.2624 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: 0.0174555  Sterimol/B1: 2.07654  Sterimol/B2: 2.4004  Sterimol/B3: 3.45191
  Sterimol/B4: 7.88663  Sterimol/L: 18.1165 
 
 Surface and Volume Properties
  Accessible surface: 548.836  Positive charged surface: 383.185  Negative charged surface: 160.399  Volume: 303.25
  Hydrophobic surface: 471.169  Hydrophilic surface: 77.667
 
 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.