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PUBCHEM-ZINC05132294

 MMsINC code: MMs03207268
Type: Neutral
Formula: C24H30O
SMILES:   OCc1ccc(cc1)\C=C(/C)\c1cc2c(cc1)C(CCC2(C)C)(C)C
InChI:   InChI=1/C24H30O/c1-17(14-18-6-8-19(16-25)9-7-18)20-10-11-21-22(15-20)24(4,5)13-12-23(21,2)3/h6-11,14-15,25H,12-13,16H2,1-5H3/b17-14-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=122.235 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.503 g/mol  logS: -8.2976  SlogP: 6.3548  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.241762  Sterimol/B1: 2.12204  Sterimol/B2: 3.84977  Sterimol/B3: 5.49826
  Sterimol/B4: 9.4875  Sterimol/L: 13.1778 
 
 Surface and Volume Properties
  Accessible surface: 594.181  Positive charged surface: 402.843  Negative charged surface: 191.337  Volume: 367.375
  Hydrophobic surface: 465.615  Hydrophilic surface: 128.566
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.