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PUBCHEM-ZINC04540425

 MMsINC code: MMs03131424
Type: Neutral
Formula: C23H20O5
SMILES:   O1c2c(C=C(c3cc(OC)c(OC)cc3)C1=O)cc1c3CCCCc3oc1c2
InChI:   InChI=1/C23H20O5/c1-25-19-8-7-13(11-22(19)26-2)16-9-14-10-17-15-5-3-4-6-18(15)27-21(17)12-20(14)28-23(16)24/h7-12H,3-6H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=116.281 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.408 g/mol  logS: -7.18339  SlogP: 4.78834  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0634634  Sterimol/B1: 2.3366  Sterimol/B2: 3.62781  Sterimol/B3: 4.58731
  Sterimol/B4: 6.74499  Sterimol/L: 19.7231 
 
 Surface and Volume Properties
  Accessible surface: 642.54  Positive charged surface: 463.598  Negative charged surface: 173.736  Volume: 353.375
  Hydrophobic surface: 560.03  Hydrophilic surface: 82.51
 
 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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.