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CHEMDIV-ZINC04918346

 MMsINC code: MMs00966894
Type: Neutral
Formula: C24H26O5
SMILES:   O(CC)c1ccccc1C1CC(=CC(=O)C1C(OCC)=O)c1ccc(OC)cc1
InChI:   InChI=1/C24H26O5/c1-4-28-22-9-7-6-8-19(22)20-14-17(16-10-12-18(27-3)13-11-16)15-21(25)23(20)24(26)29-5-2/h6-13,15,20,23H,4-5,14H2,1-3H3/t20-,23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.2643 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.467 g/mol  logS: -5.17317  SlogP: 4.4132  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.169899  Sterimol/B1: 2.02743  Sterimol/B2: 2.3915  Sterimol/B3: 8.53219
  Sterimol/B4: 9.50155  Sterimol/L: 17.9916 
 
 Surface and Volume Properties
  Accessible surface: 701.129  Positive charged surface: 482.369  Negative charged surface: 218.76  Volume: 388.625
  Hydrophobic surface: 598.906  Hydrophilic surface: 102.223
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.