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PUBCHEM-ZINC05134652

 MMsINC code: MMs03209641
Type: Ionized
Formula: C15H25O5-
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)/p-1/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=18.2399 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.36 g/mol  logS: -3.17828  SlogP: 1.5793  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0221773  Sterimol/B1: 2.61981  Sterimol/B2: 3.44709  Sterimol/B3: 3.61011
  Sterimol/B4: 3.94539  Sterimol/L: 22.1638 
 
 Surface and Volume Properties
  Accessible surface: 609.656  Positive charged surface: 447.296  Negative charged surface: 162.36  Volume: 288.875
  Hydrophobic surface: 455.089  Hydrophilic surface: 154.567
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs03209640
PUBCHEM-ZINC05134652