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PUBCHEM-ZINC05963463

 MMsINC code: MMs03463850
Type: Neutral
Formula: C15H22O4
SMILES:   O(C)c1c(O)c(C\C=C(\CC)/C)c(C)c(O)c1OC
InChI:   InChI=1/C15H22O4/c1-6-9(2)7-8-11-10(3)12(16)14(18-4)15(19-5)13(11)17/h7,16-17H,6,8H2,1-5H3/b9-7-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.1299 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.337 g/mol  logS: -3.25639  SlogP: 3.32219  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121263  Sterimol/B1: 2.36508  Sterimol/B2: 5.2587  Sterimol/B3: 5.3721
  Sterimol/B4: 5.746  Sterimol/L: 14.3267 
 
 Surface and Volume Properties
  Accessible surface: 510.445  Positive charged surface: 390.993  Negative charged surface: 119.452  Volume: 271.625
  Hydrophobic surface: 410.205  Hydrophilic surface: 100.24
 
 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: no related molecules available.