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CHEMBRIDGE-ZINC00445062

 MMsINC code: MMs00617231
Type: Neutral
Formula: C20H25NO4
SMILES:   O(CC)c1c(OCC)cc(cc1OCC)C(=O)NCc1ccccc1
InChI:   InChI=1/C20H25NO4/c1-4-23-17-12-16(13-18(24-5-2)19(17)25-6-3)20(22)21-14-15-10-8-7-9-11-15/h7-13H,4-6,14H2,1-3H3,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.8977 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.423 g/mol  logS: -4.43168  SlogP: 4.0791  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0482624  Sterimol/B1: 2.57212  Sterimol/B2: 3.23026  Sterimol/B3: 3.98992
  Sterimol/B4: 9.91547  Sterimol/L: 16.8917 
 
 Surface and Volume Properties
  Accessible surface: 673.22  Positive charged surface: 459.386  Negative charged surface: 213.834  Volume: 347.625
  Hydrophobic surface: 547.026  Hydrophilic surface: 126.194
 
 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.