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SIAL-ZINC02562491

 MMsINC code: MMs03914532
Type: Ionized
Formula: C13H24NO4-
SMILES:   O(C(C)(C)C)C(=O)NCCCCCCCC(=O)[O-]
InChI:   InChI=1/C13H25NO4/c1-13(2,3)18-12(17)14-10-8-6-4-5-7-9-11(15)16/h4-10H2,1-3H3,(H,14,17)(H,15,16)/p-1

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Potential Energy
Epot(MMFF94)=-5.99476 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.338 g/mol  logS: -2.59552  SlogP: 1.6016  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0297768  Sterimol/B1: 2.38131  Sterimol/B2: 2.82982  Sterimol/B3: 4.21026
  Sterimol/B4: 4.91592  Sterimol/L: 19.8355 
 
 Surface and Volume Properties
  Accessible surface: 570.615  Positive charged surface: 406.017  Negative charged surface: 164.599  Volume: 268
  Hydrophobic surface: 374.421  Hydrophilic surface: 196.194
 
 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:


MMs03914531
SIAL-ZINC02562491