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PUBCHEM-ZINC05998200

 MMsINC code: MMs03482226
Type: Neutral
Formula: C26H28O4
SMILES:   O(C)C1Cc2c(cccc2)C(C1c1ccccc1)c1ccc(OCC(O)CO)cc1
InChI:   InChI=1/C26H28O4/c1-29-24-15-20-9-5-6-10-23(20)25(26(24)18-7-3-2-4-8-18)19-11-13-22(14-12-19)30-17-21(28)16-27/h2-14,21,24-28H,15-17H2,1H3/t21-,24-,25+,26-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=174.013 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.506 g/mol  logS: -4.73811  SlogP: 3.90537  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162062  Sterimol/B1: 1.969  Sterimol/B2: 5.28454  Sterimol/B3: 6.57415
  Sterimol/B4: 7.25316  Sterimol/L: 17.0242 
 
 Surface and Volume Properties
  Accessible surface: 657.787  Positive charged surface: 457.46  Negative charged surface: 200.328  Volume: 400.25
  Hydrophobic surface: 552.883  Hydrophilic surface: 104.904
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.