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NCID-ZINC05663472

 MMsINC code: MMs02484334
Type: Neutral
Formula: C17H18O4
SMILES:   O(C)c1cc(ccc1O)\C=C/c1cc(OC)cc(OC)c1
InChI:   InChI=1/C17H18O4/c1-19-14-8-13(9-15(11-14)20-2)5-4-12-6-7-16(18)17(10-12)21-3/h4-11,18H,1-3H3/b5-4-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=117.326 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.327 g/mol  logS: -4.04825  SlogP: 3.5884  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114788  Sterimol/B1: 3.41218  Sterimol/B2: 3.85996  Sterimol/B3: 5.23392
  Sterimol/B4: 5.30895  Sterimol/L: 15.4118 
 
 Surface and Volume Properties
  Accessible surface: 523.396  Positive charged surface: 400.648  Negative charged surface: 122.748  Volume: 278.375
  Hydrophobic surface: 448.077  Hydrophilic surface: 75.319
 
 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.