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NCID-ZINC01665722

 MMsINC code: MMs02301867
Type: Neutral
Formula: C10H19NO4
SMILES:   O(CC(C)C)C(=O)NC(C(C)C)C(O)=O
InChI:   InChI=1/C10H19NO4/c1-6(2)5-15-10(14)11-8(7(3)4)9(12)13/h6-8H,5H2,1-4H3,(H,11,14)(H,12,13)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=17.6637 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.265 g/mol  logS: -1.29727  SlogP: 1.4778  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.083803  Sterimol/B1: 2.85323  Sterimol/B2: 2.86047  Sterimol/B3: 4.29565
  Sterimol/B4: 4.3691  Sterimol/L: 14.3392 
 
 Surface and Volume Properties
  Accessible surface: 456.296  Positive charged surface: 320.416  Negative charged surface: 135.88  Volume: 218.25
  Hydrophobic surface: 260  Hydrophilic surface: 196.296
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs02301868
NCID-ZINC01665722