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TYGER-ZINC02583268

 MMsINC code: MMs03950396
Type: Ionized
Formula: C10H18NO5-
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)/p-1/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=18.9176 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.256 g/mol  logS: -1.52973  SlogP: -0.5995  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119552  Sterimol/B1: 2.38145  Sterimol/B2: 3.92935  Sterimol/B3: 4.80926
  Sterimol/B4: 4.83608  Sterimol/L: 12.6322 
 
 Surface and Volume Properties
  Accessible surface: 445.395  Positive charged surface: 272.498  Negative charged surface: 172.897  Volume: 220.125
  Hydrophobic surface: 233.49  Hydrophilic surface: 211.905
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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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MMs03950395
TYGER-ZINC02583268