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ACROSORGANICS-ZINC04284502

 MMsINC code: MMs00018158
Type: Ionized
Formula: C15H29O3-
SMILES:   OCCCCCCCCCCCCCCC(=O)[O-]
InChI:   InChI=1/C15H30O3/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(17)18/h16H,1-14H2,(H,17,18)/p-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.89933 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.394 g/mol  logS: -4.7685  SlogP: 2.7999  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0143717  Sterimol/B1: 2.19534  Sterimol/B2: 2.42044  Sterimol/B3: 2.46316
  Sterimol/B4: 3.81769  Sterimol/L: 23.506 
 
 Surface and Volume Properties
  Accessible surface: 607.426  Positive charged surface: 469.41  Negative charged surface: 138.016  Volume: 287.5
  Hydrophobic surface: 460.929  Hydrophilic surface: 146.497
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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:


MMs00018157
ACROSORGANICS-ZINC04284502