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IBS-ZINC03881507

 MMsINC code: MMs01871298
Type: Ionized
Formula: C15H27O3-
SMILES:   O1CCCC1CCCCCCCCCCC(=O)[O-]
InChI:   InChI=1/C15H28O3/c16-15(17)12-8-6-4-2-1-3-5-7-10-14-11-9-13-18-14/h14H,1-13H2,(H,16,17)/p-1/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=12.1845 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.378 g/mol  logS: -4.1204  SlogP: 2.8163  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0213715  Sterimol/B1: 2.95544  Sterimol/B2: 3.30043  Sterimol/B3: 3.38867
  Sterimol/B4: 3.57659  Sterimol/L: 21.4606 
 
 Surface and Volume Properties
  Accessible surface: 580.551  Positive charged surface: 455.602  Negative charged surface: 124.948  Volume: 279.625
  Hydrophobic surface: 475.731  Hydrophilic surface: 104.82
 
 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:


MMs01871297
IBS-ZINC03881507