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PUBCHEM-ZINC06483199

 MMsINC code: MMs03759571
Type: Ionized
Formula: C14H23O4-
SMILES:   O(C1CCCCC1C(=O)[O-])C1CCCCC1OC
InChI:   InChI=1/C14H24O4/c1-17-12-8-4-5-9-13(12)18-11-7-3-2-6-10(11)14(15)16/h10-13H,2-9H2,1H3,(H,15,16)/p-1/t10-,11+,12+,13+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.6629 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.334 g/mol  logS: -2.11388  SlogP: 1.2693  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.16018  Sterimol/B1: 2.39055  Sterimol/B2: 3.4458  Sterimol/B3: 4.39861
  Sterimol/B4: 8.42259  Sterimol/L: 12.3581 
 
 Surface and Volume Properties
  Accessible surface: 465.07  Positive charged surface: 358.523  Negative charged surface: 106.546  Volume: 258.625
  Hydrophobic surface: 391.716  Hydrophilic surface: 73.354
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 4
 
 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:


MMs03759570
PUBCHEM-ZINC06483199