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PUBCHEM-ZINC00622443

MMsINC code: MMs02714512

Type: Neutral
Formula: C24H26O4
SMILES:   O(Cc1ccccc1)c1cc(OC)ccc1CC(OC)C(O)c1ccccc1
InChI:   InChI=1/C24H26O4/c1-26-21-14-13-20(22(16-21)28-17-18-9-5-3-6-10-18)15-23(27-2)24(25)19-11-7-4-8-12-19/h3-14,16,23-25H,15,17H2,1-2H3/t23-,24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=129.625 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.468 g/mol  logS: -4.99657  SlogP: 4.92717  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145556  Sterimol/B1: 2.14452  Sterimol/B2: 2.54249  Sterimol/B3: 5.29433
  Sterimol/B4: 11.5736  Sterimol/L: 15.8099 
 
 Surface and Volume Properties
  Accessible surface: 669.992  Positive charged surface: 444.396  Negative charged surface: 225.596  Volume: 384.5
  Hydrophobic surface: 620.333  Hydrophilic surface: 49.659
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.