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CHEMBRIDGE-ZINC01774154

 MMsINC code: MMs00696373
Type: Neutral
Formula: C23H28O4
SMILES:   O(CC)c1ccc(cc1OC)\C=C\C(Oc1ccc(cc1C(C)(C)C)C)=O
InChI:   InChI=1/C23H28O4/c1-7-26-20-12-9-17(15-21(20)25-6)10-13-22(24)27-19-11-8-16(2)14-18(19)23(3,4)5/h8-15H,7H2,1-6H3/b13-10+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=142.63 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.473 g/mol  logS: -6.61278  SlogP: 5.31862  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0277146  Sterimol/B1: 2.65813  Sterimol/B2: 2.90474  Sterimol/B3: 4.39468
  Sterimol/B4: 7.70778  Sterimol/L: 19.7122 
 
 Surface and Volume Properties
  Accessible surface: 696.634  Positive charged surface: 464.934  Negative charged surface: 231.701  Volume: 379.25
  Hydrophobic surface: 585.805  Hydrophilic surface: 110.829
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.