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NCID-ZINC01759977

 MMsINC code: MMs02366778
Type: Neutral
Formula: C30H46O2S
SMILES:   S(CCOc1ccc(cc1)C(C(C)(C)C)(C)C)CCOc1ccc(cc1)C(C(C)(C)C)(C)C
InChI:   InChI=1/C30H46O2S/c1-27(2,3)29(7,8)23-11-15-25(16-12-23)31-19-21-33-22-20-32-26-17-13-24(14-18-26)30(9,10)28(4,5)6/h11-18H,19-22H2,1-10H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=337.975 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 470.762 g/mol  logS: -11.4023  SlogP: 8.525  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0178774  Sterimol/B1: 2.36995  Sterimol/B2: 2.85946  Sterimol/B3: 5.00646
  Sterimol/B4: 7.00612  Sterimol/L: 24.5407 
 
 Surface and Volume Properties
  Accessible surface: 840.506  Positive charged surface: 547.802  Negative charged surface: 292.704  Volume: 506.125
  Hydrophobic surface: 632.481  Hydrophilic surface: 208.025
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0
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Ions/Tautomers related molecules: no related molecules available.