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ENAMINE-ZINC04901968

 MMsINC code: MMs01563313
Type: Neutral
Formula: C19H22N2O4
SMILES:   O1CCN(CC1)c1ccc(NC(=O)c2ccc(OC)cc2OC)cc1
InChI:   InChI=1/C19H22N2O4/c1-23-16-7-8-17(18(13-16)24-2)19(22)20-14-3-5-15(6-4-14)21-9-11-25-12-10-21/h3-8,13H,9-12H2,1-2H3,(H,20,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=180.721 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.395 g/mol  logS: -3.67452  SlogP: 2.7927  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0254527  Sterimol/B1: 2.14196  Sterimol/B2: 3.00531  Sterimol/B3: 3.56485
  Sterimol/B4: 7.81884  Sterimol/L: 19.3475 
 
 Surface and Volume Properties
  Accessible surface: 608.859  Positive charged surface: 469.808  Negative charged surface: 139.051  Volume: 328.75
  Hydrophobic surface: 538.008  Hydrophilic surface: 70.851
 
 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.