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NCID-ZINC01867002

MMsINC code: MMs02375429

Type: Neutral
Formula: C18H18O4
SMILES:   O(C(=O)c1ccccc1C(=O)c1ccccc1)CCOCC
InChI:   InChI=1/C18H18O4/c1-2-21-12-13-22-18(20)16-11-7-6-10-15(16)17(19)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=82.6879 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.338 g/mol  logS: -4.30927  SlogP: 3.1109  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0823705  Sterimol/B1: 3.723  Sterimol/B2: 4.61551  Sterimol/B3: 5.0161
  Sterimol/B4: 6.18634  Sterimol/L: 15.5626 
 
 Surface and Volume Properties
  Accessible surface: 576.336  Positive charged surface: 368.804  Negative charged surface: 207.532  Volume: 296.25
  Hydrophobic surface: 500.058  Hydrophilic surface: 76.278
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.