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CHEMDIV-ZINC02944583

 MMsINC code: MMs00896237
Type: Neutral
Formula: C24H34O5
SMILES:   O(CCOCCOc1ccc(cc1O)C(C)(C)C)c1ccc(cc1O)C(C)(C)C
InChI:   InChI=1/C24H34O5/c1-23(2,3)17-7-9-21(19(25)15-17)28-13-11-27-12-14-29-22-10-8-18(16-20(22)26)24(4,5)6/h7-10,15-16,25-26H,11-14H2,1-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=144.135 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.531 g/mol  logS: -6.73788  SlogP: 5.1672  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0605387  Sterimol/B1: 2.98355  Sterimol/B2: 3.63799  Sterimol/B3: 6.04076
  Sterimol/B4: 7.40421  Sterimol/L: 20.7748 
 
 Surface and Volume Properties
  Accessible surface: 762.669  Positive charged surface: 549.59  Negative charged surface: 213.079  Volume: 418.25
  Hydrophobic surface: 552.835  Hydrophilic surface: 209.834
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.