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CHEMSTAR-ZINC04524843

 MMsINC code: MMs01114786
Type: Neutral
Formula: C26H36O5
SMILES:   O1CCOCCOc2c(Oc3cc(ccc3OCC1)C(C)(C)C)cc(cc2)C(C)(C)C
InChI:   InChI=1/C26H36O5/c1-25(2,3)19-7-9-21-23(17-19)31-24-18-20(26(4,5)6)8-10-22(24)30-16-14-28-12-11-27-13-15-29-21/h7-10,17-18H,11-16H2,1-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=242.649 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 428.569 g/mol  logS: -7.74163  SlogP: 5.8783  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0836004  Sterimol/B1: 1.98858  Sterimol/B2: 3.44274  Sterimol/B3: 4.76356
  Sterimol/B4: 9.8836  Sterimol/L: 15.2009 
 
 Surface and Volume Properties
  Accessible surface: 661.052  Positive charged surface: 502.344  Negative charged surface: 158.709  Volume: 439.5
  Hydrophobic surface: 559.275  Hydrophilic surface: 101.777
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.