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PUBCHEM-ZINC02037963

 MMsINC code: MMs02862308
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+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=131.527 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: 0.147853  Sterimol/B1: 2.17125  Sterimol/B2: 3.26346  Sterimol/B3: 4.5108
  Sterimol/B4: 10.053  Sterimol/L: 16.22 
 
 Surface and Volume Properties
  Accessible surface: 599.076  Positive charged surface: 397.985  Negative charged surface: 201.091  Volume: 354.125
  Hydrophobic surface: 570.912  Hydrophilic surface: 28.164
 
 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.