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BACHEM-ZINC02560338

 MMsINC code: MMs00483787
Type: Neutral
Formula: C10H17NO5
SMILES:   O(C(C)(C)C)C(=O)CC(NC(=O)C)C(O)=O
InChI:   InChI=1/C10H17NO5/c1-6(12)11-7(9(14)15)5-8(13)16-10(2,3)4/h7H,5H2,1-4H3,(H,11,12)(H,14,15)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=37.0158 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.248 g/mol  logS: -1.03803  SlogP: 0.3075  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.106042  Sterimol/B1: 2.02548  Sterimol/B2: 3.18377  Sterimol/B3: 3.50754
  Sterimol/B4: 7.65388  Sterimol/L: 12.22 
 
 Surface and Volume Properties
  Accessible surface: 452.4  Positive charged surface: 290.971  Negative charged surface: 161.429  Volume: 216.75
  Hydrophobic surface: 259.406  Hydrophilic surface: 192.994
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules


MMs00483788
BACHEM-ZINC02560338