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NCID-ZINC05409899

 MMsINC code: MMs02459800
Type: Ionized
Formula: C14H23O3-
SMILES:   O=C1CCCCCCCCCCC1CC(=O)[O-]
InChI:   InChI=1/C14H24O3/c15-13-10-8-6-4-2-1-3-5-7-9-12(13)11-14(16)17/h12H,1-11H2,(H,16,17)/p-1/t12-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.0417 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.335 g/mol  logS: -3.85742  SlogP: 2.2263  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140796  Sterimol/B1: 3.32442  Sterimol/B2: 3.57148  Sterimol/B3: 4.32157
  Sterimol/B4: 6.02651  Sterimol/L: 13.105 
 
 Surface and Volume Properties
  Accessible surface: 448.05  Positive charged surface: 313.159  Negative charged surface: 134.891  Volume: 254.75
  Hydrophobic surface: 334.798  Hydrophilic surface: 113.252
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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:


MMs02459799
NCID-ZINC05409899