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PUBCHEM-ZINC06036397

 MMsINC code: MMs03506228
Type: Neutral
Formula: C24H34O2
SMILES:   O(Cc1ccccc1)CC(CCCC(CCOCc1ccccc1)C)C
InChI:   InChI=1/C24H34O2/c1-21(16-17-25-19-23-12-5-3-6-13-23)10-9-11-22(2)18-26-20-24-14-7-4-8-15-24/h3-8,12-15,21-22H,9-11,16-20H2,1-2H3/t21-,22+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.8274 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.534 g/mol  logS: -5.96613  SlogP: 6.7854  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0259389  Sterimol/B1: 1.969  Sterimol/B2: 2.97974  Sterimol/B3: 4.09378
  Sterimol/B4: 6.28368  Sterimol/L: 25.2657 
 
 Surface and Volume Properties
  Accessible surface: 758.014  Positive charged surface: 517.225  Negative charged surface: 240.789  Volume: 399.875
  Hydrophobic surface: 703.109  Hydrophilic surface: 54.905
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.