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ASINEX-ZINC03881511

 MMsINC code: MMs00291598
Type: Ionized
Formula: C15H27O4-
SMILES:   O1CCOCC1CCCCCCCCCCC(=O)[O-]
InChI:   InChI=1/C15H28O4/c16-15(17)10-8-6-4-2-1-3-5-7-9-14-13-18-11-12-19-14/h14H,1-13H2,(H,16,17)/p-1/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=32.8296 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.377 g/mol  logS: -3.8595  SlogP: 2.0527  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0188206  Sterimol/B1: 2.5225  Sterimol/B2: 3.27742  Sterimol/B3: 3.28951
  Sterimol/B4: 4.16483  Sterimol/L: 21.7532 
 
 Surface and Volume Properties
  Accessible surface: 590.436  Positive charged surface: 470.126  Negative charged surface: 120.31  Volume: 288.625
  Hydrophobic surface: 472.969  Hydrophilic surface: 117.467
 
 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:


MMs00291597
ASINEX-ZINC03881511