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PUBCHEM-ZINC02383166

 MMsINC code: MMs02886250
Type: Neutral
Formula: C15H20O4
SMILES:   O(C)c1c(OC)cc(cc1OC)\C=C\C(=O)C(C)C
InChI:   InChI=1/C15H20O4/c1-10(2)12(16)7-6-11-8-13(17-3)15(19-5)14(9-11)18-4/h6-10H,1-5H3/b7-6+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.7233 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.321 g/mol  logS: -2.75765  SlogP: 2.9507  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0457295  Sterimol/B1: 2.49033  Sterimol/B2: 4.17202  Sterimol/B3: 4.5809
  Sterimol/B4: 6.6301  Sterimol/L: 15.3904 
 
 Surface and Volume Properties
  Accessible surface: 534.268  Positive charged surface: 408  Negative charged surface: 126.268  Volume: 269.25
  Hydrophobic surface: 445.732  Hydrophilic surface: 88.536
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.