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NCID-ZINC05411439

 MMsINC code: MMs02460227
Type: Neutral
Formula: C15H30O8
SMILES:   O1C(COCCOCCO)C(OC1(C)C)COCCOCCO
InChI:   InChI=1/C15H30O8/c1-15(2)22-13(11-20-9-7-18-5-3-16)14(23-15)12-21-10-8-19-6-4-17/h13-14,16-17H,3-12H2,1-2H3/t13-,14+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.49 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.397 g/mol  logS: -0.90052  SlogP: -0.4425  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0667896  Sterimol/B1: 2.26881  Sterimol/B2: 2.7831  Sterimol/B3: 4.80427
  Sterimol/B4: 8.51795  Sterimol/L: 19.9672 
 
 Surface and Volume Properties
  Accessible surface: 704.181  Positive charged surface: 593.136  Negative charged surface: 111.044  Volume: 332.25
  Hydrophobic surface: 524.974  Hydrophilic surface: 179.207
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 8  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.