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PUBCHEM-ZINC06069294

 MMsINC code: MMs03522197
Type: Neutral
Formula: C24H20O2
SMILES:   OC1C=Cc2c(ccc3c2c(c2c(ccc4c2cccc4)c3C)C)C1O
InChI:   InChI=1/C24H20O2/c1-13-16-8-7-15-5-3-4-6-18(15)22(16)14(2)23-17(13)9-10-20-19(23)11-12-21(25)24(20)26/h3-12,21,24-26H,1-2H3/t21-,24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=183.308 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.422 g/mol  logS: -8.16306  SlogP: 5.27964  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0523381  Sterimol/B1: 1.98512  Sterimol/B2: 3.5838  Sterimol/B3: 4.04832
  Sterimol/B4: 9.198  Sterimol/L: 14.8422 
 
 Surface and Volume Properties
  Accessible surface: 562.06  Positive charged surface: 313.708  Negative charged surface: 221.31  Volume: 337.375
  Hydrophobic surface: 458.377  Hydrophilic surface: 103.683
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.