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IBS-ZINC04023216

 MMsINC code: MMs01874303
Type: Neutral
Formula: C14H26O5
SMILES:   OC(=O)C(CCCCCCCCCCCO)C(O)=O
InChI:   InChI=1/C14H26O5/c15-11-9-7-5-3-1-2-4-6-8-10-12(13(16)17)14(18)19/h12,15H,1-11H2,(H,16,17)(H,18,19)

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Potential Energy
Epot(MMFF94)=0.315161 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.357 g/mol  logS: -3.34801  SlogP: 2.6651  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0193742  Sterimol/B1: 2.62797  Sterimol/B2: 3.21991  Sterimol/B3: 3.92434
  Sterimol/B4: 4.01307  Sterimol/L: 21.5207 
 
 Surface and Volume Properties
  Accessible surface: 587.069  Positive charged surface: 447.157  Negative charged surface: 139.912  Volume: 280.375
  Hydrophobic surface: 358.122  Hydrophilic surface: 228.947
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs01874304
IBS-ZINC04023216