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BACHEM-ZINC02528219

 MMsINC code: MMs00483486
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-/m1/s1

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Potential Energy
Epot(MMFF94)=11.4503 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: 0.0973796  Sterimol/B1: 2.56312  Sterimol/B2: 3.20774  Sterimol/B3: 3.9136
  Sterimol/B4: 9.59597  Sterimol/L: 13.8564 
 
 Surface and Volume Properties
  Accessible surface: 554.06  Positive charged surface: 376.651  Negative charged surface: 177.408  Volume: 303.125
  Hydrophobic surface: 370.166  Hydrophilic surface: 183.894
 
 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:


MMs00483485
BACHEM-ZINC02528219