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ENAMINE-ZINC03282364

 MMsINC code: MMs01348660
Type: Neutral
Formula: C19H23NO4
SMILES:   O(C)c1cc(cc(OC)c1C)C(=O)NCCc1ccc(OC)cc1
InChI:   InChI=1/C19H23NO4/c1-13-17(23-3)11-15(12-18(13)24-4)19(21)20-10-9-14-5-7-16(22-2)8-6-14/h5-8,11-12H,9-10H2,1-4H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.4267 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.396 g/mol  logS: -3.67199  SlogP: 2.99329  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.033886  Sterimol/B1: 3.12469  Sterimol/B2: 4.24361  Sterimol/B3: 5.33809
  Sterimol/B4: 6.19383  Sterimol/L: 19.5144 
 
 Surface and Volume Properties
  Accessible surface: 629.949  Positive charged surface: 476.538  Negative charged surface: 153.411  Volume: 330.25
  Hydrophobic surface: 570.931  Hydrophilic surface: 59.018
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.