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MICROSOURCE-ZINC00001283

 MMsINC code: MMs02187697
Type: Neutral
Formula: C18H18O2
SMILES:   Oc1ccc(cc1)/C(/C(=C/C)/c1ccc(O)cc1)=C\C
InChI:   InChI=1/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3-,18-4+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.1923 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.34 g/mol  logS: -5.32868  SlogP: 4.6046  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.342722  Sterimol/B1: 2.18627  Sterimol/B2: 3.90426  Sterimol/B3: 5.89879
  Sterimol/B4: 7.31175  Sterimol/L: 12.0625 
 
 Surface and Volume Properties
  Accessible surface: 518.569  Positive charged surface: 320.017  Negative charged surface: 198.552  Volume: 281.75
  Hydrophobic surface: 399.956  Hydrophilic surface: 118.613
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs02187698
MICROSOURCE-ZINC00001283