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NCID-ZINC03588899

 MMsINC code: MMs02380541
Type: Neutral
Formula: C26H26O3
SMILES:   OC1c2c(cccc2)C(O)C12C(CC(O)CC2c1ccccc1)c1ccccc1
InChI:   InChI=1/C26H26O3/c27-19-15-22(17-9-3-1-4-10-17)26(23(16-19)18-11-5-2-6-12-18)24(28)20-13-7-8-14-21(20)25(26)29/h1-14,19,22-25,27-29H,15-16H2/t19-,22-,23-,24-,25+,26-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=200.794 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.491 g/mol  logS: -4.78435  SlogP: 4.6667  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.295647  Sterimol/B1: 2.15033  Sterimol/B2: 4.40382  Sterimol/B3: 5.39248
  Sterimol/B4: 6.60522  Sterimol/L: 14.1902 
 
 Surface and Volume Properties
  Accessible surface: 575.246  Positive charged surface: 378.682  Negative charged surface: 196.564  Volume: 378.125
  Hydrophobic surface: 462.264  Hydrophilic surface: 112.982
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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: 0
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Ions/Tautomers related molecules: no related molecules available.