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PUBCHEM-ZINC01555089

 MMsINC code: MMs02814349
Type: Neutral
Formula: C25H26O3
SMILES:   O1c2cc(CCCOc3ccccc3)c(O)cc2CC1CCc1ccccc1
InChI:   InChI=1/C25H26O3/c26-24-17-21-16-23(14-13-19-8-3-1-4-9-19)28-25(21)18-20(24)10-7-15-27-22-11-5-2-6-12-22/h1-6,8-9,11-12,17-18,23,26H,7,10,13-16H2/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.9095 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.48 g/mol  logS: -5.36984  SlogP: 5.34001  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0381917  Sterimol/B1: 2.39868  Sterimol/B2: 3.33099  Sterimol/B3: 4.6455
  Sterimol/B4: 6.96821  Sterimol/L: 23.6008 
 
 Surface and Volume Properties
  Accessible surface: 714.888  Positive charged surface: 448.73  Negative charged surface: 266.157  Volume: 385.75
  Hydrophobic surface: 661.298  Hydrophilic surface: 53.59
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.