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CHEMDIV-ZINC00103568

 MMsINC code: MMs00832831
Type: Neutral
Formula: C20H18O4
SMILES:   O(C)c1cc2c(cc1OC)cc(cc2-c1ccc(cc1)C)C(O)=O
InChI:   InChI=1/C20H18O4/c1-12-4-6-13(7-5-12)16-9-15(20(21)22)8-14-10-18(23-2)19(24-3)11-17(14)16/h4-11H,1-3H3,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.162 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.36 g/mol  logS: -6.23322  SlogP: 4.53062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0390825  Sterimol/B1: 3.0477  Sterimol/B2: 3.09032  Sterimol/B3: 5.93048
  Sterimol/B4: 7.39152  Sterimol/L: 15.1418 
 
 Surface and Volume Properties
  Accessible surface: 569.302  Positive charged surface: 372.455  Negative charged surface: 182.772  Volume: 312
  Hydrophobic surface: 455.609  Hydrophilic surface: 113.693
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00832832
CHEMDIV-ZINC00103568