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BACHEM-ZINC02382577

 MMsINC code: MMs00482840
Type: Ionized
Formula: C15H24NO6-
SMILES:   O(C(=O)CC(NC(OC(C)(C)C)=O)C(=O)[O-])C1CCCCC1
InChI:   InChI=1/C15H25NO6/c1-15(2,3)22-14(20)16-11(13(18)19)9-12(17)21-10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3,(H,16,20)(H,18,19)/p-1/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=11.6593 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.358 g/mol  logS: -2.83908  SlogP: 0.8956  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.127126  Sterimol/B1: 2.1513  Sterimol/B2: 2.87245  Sterimol/B3: 4.87379
  Sterimol/B4: 9.19912  Sterimol/L: 13.4187 
 
 Surface and Volume Properties
  Accessible surface: 559.799  Positive charged surface: 382.739  Negative charged surface: 177.06  Volume: 301.125
  Hydrophobic surface: 373.555  Hydrophilic surface: 186.244
 
 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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MMs00482839
BACHEM-ZINC02382577