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PUBCHEM-ZINC05820463

 MMsINC code: MMs03399441
Type: Neutral
Formula: C10H20O3
SMILES:   O(CCC(O)CCCCCC)C=O
InChI:   InChI=1/C10H20O3/c1-2-3-4-5-6-10(12)7-8-13-9-11/h9-10,12H,2-8H2,1H3/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=10.0298 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.267 g/mol  logS: -2.48408  SlogP: 1.8808  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0375703  Sterimol/B1: 2.49591  Sterimol/B2: 2.73447  Sterimol/B3: 3.24017
  Sterimol/B4: 3.42965  Sterimol/L: 17.4899 
 
 Surface and Volume Properties
  Accessible surface: 455.608  Positive charged surface: 345.949  Negative charged surface: 109.659  Volume: 205.375
  Hydrophobic surface: 310.74  Hydrophilic surface: 144.868
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.