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PUBCHEM-ZINC05762190

 MMsINC code: MMs03375533
Type: Neutral
Formula: C25H26O2
SMILES:   OC(=O)c1ccc(cc1)-c1cc2c(cc3c(c2)C(CCC3(C)C)(C)C)cc1
InChI:   InChI=1/C25H26O2/c1-24(2)11-12-25(3,4)22-15-20-13-18(9-10-19(20)14-21(22)24)16-5-7-17(8-6-16)23(26)27/h5-10,13-15H,11-12H2,1-4H3,(H,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=129.132 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.481 g/mol  logS: -9.59566  SlogP: 6.554  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0386387  Sterimol/B1: 2.17728  Sterimol/B2: 3.39629  Sterimol/B3: 5.00226
  Sterimol/B4: 6.7212  Sterimol/L: 18.1352 
 
 Surface and Volume Properties
  Accessible surface: 624.449  Positive charged surface: 344.365  Negative charged surface: 255.095  Volume: 369.125
  Hydrophobic surface: 457.453  Hydrophilic surface: 166.996
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs03375534
PUBCHEM-ZINC05762190