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CHEMDIV-ZINC04919734

 MMsINC code: MMs00967265
Type: Neutral
Formula: C24H26O6
SMILES:   O(C)c1cc(ccc1OC)C=1CC(C(C(OCC)=O)C(=O)C=1)c1ccc(OC)cc1
InChI:   InChI=1/C24H26O6/c1-5-30-24(26)23-19(15-6-9-18(27-2)10-7-15)12-17(13-20(23)25)16-8-11-21(28-3)22(14-16)29-4/h6-11,13-14,19,23H,5,12H2,1-4H3/t19-,23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.612 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.466 g/mol  logS: -4.89634  SlogP: 4.0317  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.105013  Sterimol/B1: 2.23617  Sterimol/B2: 2.51701  Sterimol/B3: 5.76012
  Sterimol/B4: 11.2942  Sterimol/L: 17.3911 
 
 Surface and Volume Properties
  Accessible surface: 713.757  Positive charged surface: 533.618  Negative charged surface: 180.139  Volume: 396.75
  Hydrophobic surface: 613.608  Hydrophilic surface: 100.149
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.