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PUBCHEM-ZINC05877279

 MMsINC code: MMs03425832
Type: Neutral
Formula: C24H34O2S
SMILES:   S(c1cc(cc(C(C)(C)C)c1O)CC)c1cc(cc(C(C)(C)C)c1O)CC
InChI:   InChI=1/C24H34O2S/c1-9-15-11-17(23(3,4)5)21(25)19(13-15)27-20-14-16(10-2)12-18(22(20)26)24(6,7)8/h11-14,25-26H,9-10H2,1-8H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=127.704 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.6 g/mol  logS: -8.89678  SlogP: 6.96874  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.18194  Sterimol/B1: 2.38339  Sterimol/B2: 4.03615  Sterimol/B3: 5.76238
  Sterimol/B4: 8.63161  Sterimol/L: 15.5842 
 
 Surface and Volume Properties
  Accessible surface: 661.349  Positive charged surface: 437.34  Negative charged surface: 224.009  Volume: 407.875
  Hydrophobic surface: 447.491  Hydrophilic surface: 213.858
 
 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: no related molecules available.