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PUBCHEM-ZINC02037961

 MMsINC code: MMs02862306
Type: Neutral
Formula: C24H24O2
SMILES:   O(C)c1cc2c(cc1)C(O)(C(CC2)c1ccccc1)c1ccc(cc1)C
InChI:   InChI=1/C24H24O2/c1-17-8-11-20(12-9-17)24(25)22(18-6-4-3-5-7-18)14-10-19-16-21(26-2)13-15-23(19)24/h3-9,11-13,15-16,22,25H,10,14H2,1-2H3/t22-,24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=130.903 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.454 g/mol  logS: -5.85112  SlogP: 5.28099  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165517  Sterimol/B1: 2.29677  Sterimol/B2: 3.87606  Sterimol/B3: 4.39707
  Sterimol/B4: 9.17323  Sterimol/L: 16.2356 
 
 Surface and Volume Properties
  Accessible surface: 581.769  Positive charged surface: 394.69  Negative charged surface: 187.079  Volume: 351.75
  Hydrophobic surface: 548.512  Hydrophilic surface: 33.257
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.