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BACHEM-ZINC02560349

 MMsINC code: MMs00483805
Type: Neutral
Formula: C10H19NO4
SMILES:   O(C(C)(C)C)C(C(NC(=O)C)C(O)=O)C
InChI:   InChI=1/C10H19NO4/c1-6(15-10(3,4)5)8(9(13)14)11-7(2)12/h6,8H,1-5H3,(H,11,12)(H,13,14)/t6-,8+/m1/s1

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Potential Energy
Epot(MMFF94)=48.187 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.265 g/mol  logS: -1.21779  SlogP: 0.7793  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.200403  Sterimol/B1: 2.09776  Sterimol/B2: 2.497  Sterimol/B3: 5.10629
  Sterimol/B4: 6.63162  Sterimol/L: 12.1115 
 
 Surface and Volume Properties
  Accessible surface: 430.58  Positive charged surface: 275.215  Negative charged surface: 155.366  Volume: 214
  Hydrophobic surface: 253.813  Hydrophilic surface: 176.767
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs00483806
BACHEM-ZINC02560349