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PUBCHEM-ZINC02378801

 MMsINC code: MMs02885783
Type: Neutral
Formula: C11H20O3
SMILES:   OC(=O)CCCCC(=O)CCCCC
InChI:   InChI=1/C11H20O3/c1-2-3-4-7-10(12)8-5-6-9-11(13)14/h2-9H2,1H3,(H,13,14)

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Potential Energy
Epot(MMFF94)=0.322782 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.278 g/mol  logS: -1.8399  SlogP: 2.7808  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0219041  Sterimol/B1: 2.37536  Sterimol/B2: 2.37609  Sterimol/B3: 2.97376
  Sterimol/B4: 3.2329  Sterimol/L: 18.1343 
 
 Surface and Volume Properties
  Accessible surface: 475.505  Positive charged surface: 352.667  Negative charged surface: 122.838  Volume: 214.875
  Hydrophobic surface: 324.547  Hydrophilic surface: 150.958
 
 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


MMs02885784
PUBCHEM-ZINC02378801