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PUBCHEM-ZINC05178630

 MMsINC code: MMs03220929
Type: Ionized
Formula: C18H32O4-2
SMILES:   O=C([O-])CCCCCCCCCCCCCCCCC(=O)[O-]
InChI:   InChI=1/C18H34O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-16H2,(H,19,20)(H,21,22)/p-2

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Potential Energy
Epot(MMFF94)=5.84915 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.45 g/mol  logS: -6.45314  SlogP: 2.7278  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0105165  Sterimol/B1: 2.369  Sterimol/B2: 2.37256  Sterimol/B3: 2.96069
  Sterimol/B4: 3.81261  Sterimol/L: 27.2652 
 
 Surface and Volume Properties
  Accessible surface: 696.214  Positive charged surface: 499.224  Negative charged surface: 196.99  Volume: 344.875
  Hydrophobic surface: 501.059  Hydrophilic surface: 195.155
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  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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Parent related molecule:


MMs03220928
PUBCHEM-ZINC05178630