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NCID-ZINC01670913

 MMsINC code: MMs02306924
Type: Neutral
Formula: C12H22O4
SMILES:   O(C(=O)CCCCCCCCCC(O)=O)C
InChI:   InChI=1/C12H22O4/c1-16-12(15)10-8-6-4-2-3-5-7-9-11(13)14/h2-10H2,1H3,(H,13,14)

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Potential Energy
Epot(MMFF94)=2.04361 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.304 g/mol  logS: -2.73803  SlogP: 2.7549  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0175304  Sterimol/B1: 2.37489  Sterimol/B2: 2.37595  Sterimol/B3: 3.02458
  Sterimol/B4: 3.22073  Sterimol/L: 20.4911 
 
 Surface and Volume Properties
  Accessible surface: 529.155  Positive charged surface: 413.206  Negative charged surface: 115.949  Volume: 241.375
  Hydrophobic surface: 385.442  Hydrophilic surface: 143.713
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs02306925
NCID-ZINC01670913