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ASINEX-ZINC00186633

 MMsINC code: MMs00087692
Type: Neutral
Formula: C19H23NO5
SMILES:   O(C)c1cc(ccc1OC)CCNC(=O)c1cc(OC)cc(OC)c1
InChI:   InChI=1/C19H23NO5/c1-22-15-10-14(11-16(12-15)23-2)19(21)20-8-7-13-5-6-17(24-3)18(9-13)25-4/h5-6,9-12H,7-8H2,1-4H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.591 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.395 g/mol  logS: -3.5619  SlogP: 2.69347  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0671021  Sterimol/B1: 2.33674  Sterimol/B2: 4.25806  Sterimol/B3: 4.42103
  Sterimol/B4: 6.81868  Sterimol/L: 19.9768 
 
 Surface and Volume Properties
  Accessible surface: 655.244  Positive charged surface: 507.627  Negative charged surface: 147.618  Volume: 338.25
  Hydrophobic surface: 570.685  Hydrophilic surface: 84.559
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.