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TYGER-ZINC02583268

 MMsINC code: MMs03950395
Type: Neutral
Formula: C10H19NO5
SMILES:   O(C(C)(C)C)C(=O)NC(C(O)(C)C)C(O)=O
InChI:   InChI=1/C10H19NO5/c1-9(2,3)16-8(14)11-6(7(12)13)10(4,5)15/h6,15H,1-5H3,(H,11,14)(H,12,13)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=45.4285 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.264 g/mol  logS: -1.26928  SlogP: 0.7352  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102166  Sterimol/B1: 3.18004  Sterimol/B2: 3.25328  Sterimol/B3: 3.57363
  Sterimol/B4: 5.53652  Sterimol/L: 13.1255 
 
 Surface and Volume Properties
  Accessible surface: 451.451  Positive charged surface: 298.619  Negative charged surface: 152.832  Volume: 221.875
  Hydrophobic surface: 226.573  Hydrophilic surface: 224.878
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs03950396
TYGER-ZINC02583268