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PUBCHEM-ZINC01554855

 MMsINC code: MMs02814343
Type: Neutral
Formula: C25H30O7
SMILES:   O1c2c(C(=O)C(OCC)=C1c1cc(OCC)c(OCC)cc1)c(OCC)cc(OCC)c2
InChI:   InChI=1/C25H30O7/c1-6-27-17-14-20(30-9-4)22-21(15-17)32-24(25(23(22)26)31-10-5)16-11-12-18(28-7-2)19(13-16)29-8-3/h11-15H,6-10H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=129.754 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 442.508 g/mol  logS: -6.47247  SlogP: 5.2618  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0825451  Sterimol/B1: 2.54228  Sterimol/B2: 6.19014  Sterimol/B3: 6.53472
  Sterimol/B4: 7.49729  Sterimol/L: 18.9421 
 
 Surface and Volume Properties
  Accessible surface: 798.64  Positive charged surface: 596.693  Negative charged surface: 201.947  Volume: 431.25
  Hydrophobic surface: 632.52  Hydrophilic surface: 166.12
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.