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PUBCHEM-ZINC05134652

 MMsINC code: MMs03209640
Type: Neutral
Formula: C15H26O5
SMILES:   O1CCCC1COC(=O)CCCCCCCCC(O)=O
InChI:   InChI=1/C15H26O5/c16-14(17)9-5-3-1-2-4-6-10-15(18)20-12-13-8-7-11-19-13/h13H,1-12H2,(H,16,17)/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=20.2279 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.368 g/mol  logS: -2.91783  SlogP: 2.914  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0172732  Sterimol/B1: 2.48189  Sterimol/B2: 3.19321  Sterimol/B3: 3.47377
  Sterimol/B4: 3.6996  Sterimol/L: 22.7881 
 
 Surface and Volume Properties
  Accessible surface: 607.934  Positive charged surface: 473.919  Negative charged surface: 134.015  Volume: 291.25
  Hydrophobic surface: 458.309  Hydrophilic surface: 149.625
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs03209641
PUBCHEM-ZINC05134652