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BACHEM-ZINC02539203

 MMsINC code: MMs00483514
Type: Ionized
Formula: C16H26NO6-
SMILES:   O(C(=O)CCC(NC(OC(C)(C)C)=O)C(=O)[O-])C1CCCCC1
InChI:   InChI=1/C16H27NO6/c1-16(2,3)23-15(21)17-12(14(19)20)9-10-13(18)22-11-7-5-4-6-8-11/h11-12H,4-10H2,1-3H3,(H,17,21)(H,19,20)/p-1/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=16.0946 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.385 g/mol  logS: -3.04085  SlogP: 1.2857  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0507509  Sterimol/B1: 2.25591  Sterimol/B2: 3.49175  Sterimol/B3: 4.93947
  Sterimol/B4: 8.30653  Sterimol/L: 16.8134 
 
 Surface and Volume Properties
  Accessible surface: 613.384  Positive charged surface: 429.107  Negative charged surface: 184.277  Volume: 317.25
  Hydrophobic surface: 417.777  Hydrophilic surface: 195.607
 
 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:


MMs00483513
BACHEM-ZINC02539203