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PUBCHEM-ZINC05885267

 MMsINC code: MMs03428590
Type: Neutral
Formula: C20H34O4
SMILES:   O(CCOCCOCCO)c1ccc(cc1)C(CC(C)(C)C)(C)C
InChI:   InChI=1/C20H34O4/c1-19(2,3)16-20(4,5)17-6-8-18(9-7-17)24-15-14-23-13-12-22-11-10-21/h6-9,21H,10-16H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=208.814 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.488 g/mol  logS: -5.59846  SlogP: 3.8047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0678225  Sterimol/B1: 3.80755  Sterimol/B2: 3.83201  Sterimol/B3: 4.65449
  Sterimol/B4: 6.0384  Sterimol/L: 18.6405 
 
 Surface and Volume Properties
  Accessible surface: 675.219  Positive charged surface: 517.452  Negative charged surface: 157.767  Volume: 360.75
  Hydrophobic surface: 536.637  Hydrophilic surface: 138.582
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.