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PUBCHEM-ZINC05854565

 MMsINC code: MMs03418890
Type: Neutral
Formula: C26H32O5
SMILES:   O1CC(Cc2c1cc(O)c(CC=C(C)C)c2OC)c1ccc(O)c(CC=C(C)C)c1O
InChI:   InChI=1/C26H32O5/c1-15(2)6-8-19-22(27)11-10-18(25(19)29)17-12-21-24(31-14-17)13-23(28)20(26(21)30-5)9-7-16(3)4/h6-7,10-11,13,17,27-29H,8-9,12,14H2,1-5H3/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=126.219 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.537 g/mol  logS: -5.92551  SlogP: 5.54801  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120694  Sterimol/B1: 2.41593  Sterimol/B2: 3.61384  Sterimol/B3: 6.53307
  Sterimol/B4: 7.47394  Sterimol/L: 16.0144 
 
 Surface and Volume Properties
  Accessible surface: 730.915  Positive charged surface: 516.921  Negative charged surface: 213.994  Volume: 430.375
  Hydrophobic surface: 593.107  Hydrophilic surface: 137.808
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.