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ENAMINE-ZINC03388806

 MMsINC code: MMs01412347
Type: Neutral
Formula: C20H24ClNO5
SMILES:   Clc1cc(cc(OCC)c1OCCC)C(=O)Nc1cc(OC)ccc1OC
InChI:   InChI=1/C20H24ClNO5/c1-5-9-27-19-15(21)10-13(11-18(19)26-6-2)20(23)22-16-12-14(24-3)7-8-17(16)25-4/h7-8,10-12H,5-6,9H2,1-4H3,(H,22,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=116.484 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.867 g/mol  logS: -5.14687  SlogP: 4.797  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0258082  Sterimol/B1: 2.35751  Sterimol/B2: 4.24947  Sterimol/B3: 4.61542
  Sterimol/B4: 8.40244  Sterimol/L: 19.1176 
 
 Surface and Volume Properties
  Accessible surface: 702.835  Positive charged surface: 489.152  Negative charged surface: 213.684  Volume: 371.875
  Hydrophobic surface: 597.014  Hydrophilic surface: 105.821
 
 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.