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PUBCHEM-ZINC05113027

 MMsINC code: MMs03201424
Type: Neutral
Formula: C10H18O6
SMILES:   O(C(=O)CCCCC(O)=O)CCOCCO
InChI:   InChI=1/C10H18O6/c11-5-6-15-7-8-16-10(14)4-2-1-3-9(12)13/h11H,1-8H2,(H,12,13)

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Potential Energy
Epot(MMFF94)=23.1627 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.248 g/mol  logS: -0.10203  SlogP: 0.1835  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0352236  Sterimol/B1: 2.77553  Sterimol/B2: 3.46343  Sterimol/B3: 3.53303
  Sterimol/B4: 4.64004  Sterimol/L: 17.2219 
 
 Surface and Volume Properties
  Accessible surface: 507.994  Positive charged surface: 392.251  Negative charged surface: 115.743  Volume: 222.75
  Hydrophobic surface: 316.452  Hydrophilic surface: 191.542
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03201425
PUBCHEM-ZINC05113027