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BACHEM-ZINC01640311

 MMsINC code: MMs00482489
Type: Ionized
Formula: C14H24NO6-
SMILES:   O(C(C)(C)C)C(=O)C(NC(OC(C)(C)C)=O)CCC(=O)[O-]
InChI:   InChI=1/C14H25NO6/c1-13(2,3)20-11(18)9(7-8-10(16)17)15-12(19)21-14(4,5)6/h9H,7-8H2,1-6H3,(H,15,19)(H,16,17)/p-1/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=20.3645 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.347 g/mol  logS: -2.55134  SlogP: 0.7515  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103789  Sterimol/B1: 2.26353  Sterimol/B2: 3.48835  Sterimol/B3: 3.79565
  Sterimol/B4: 10.443  Sterimol/L: 14.1785 
 
 Surface and Volume Properties
  Accessible surface: 585.835  Positive charged surface: 381.405  Negative charged surface: 204.429  Volume: 298.875
  Hydrophobic surface: 341.67  Hydrophilic surface: 244.165
 
 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:


MMs00482488
BACHEM-ZINC01640311