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PUBCHEM-ZINC06482934

 MMsINC code: MMs03759315
Type: Ionized
Formula: C13H25O4-
SMILES:   O(CCCCCCCCCC(O)CC(=O)[O-])C
InChI:   InChI=1/C13H26O4/c1-17-10-8-6-4-2-3-5-7-9-12(14)11-13(15)16/h12,14H,2-11H2,1H3,(H,15,16)/p-1/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=-1.12343 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.339 g/mol  logS: -2.53681  SlogP: 1.2545  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0186309  Sterimol/B1: 2.60636  Sterimol/B2: 2.64638  Sterimol/B3: 2.99209
  Sterimol/B4: 3.1411  Sterimol/L: 21.2774 
 
 Surface and Volume Properties
  Accessible surface: 558.227  Positive charged surface: 427.686  Negative charged surface: 130.541  Volume: 262.25
  Hydrophobic surface: 426.327  Hydrophilic surface: 131.9
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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:


MMs03759314
PUBCHEM-ZINC06482934