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TYGER-ZINC04203556

 MMsINC code: MMs03950582
Type: Neutral
Formula: C11H21NO4
SMILES:   O1CC(COC1CCCC(N)C(O)=O)(C)C
InChI:   InChI=1/C11H21NO4/c1-11(2)6-15-9(16-7-11)5-3-4-8(12)10(13)14/h8-9H,3-7,12H2,1-2H3,(H,13,14)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=34.1438 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.292 g/mol  logS: -0.80321  SlogP: 0.9677  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0737534  Sterimol/B1: 3.08647  Sterimol/B2: 3.09732  Sterimol/B3: 4.02282
  Sterimol/B4: 4.1244  Sterimol/L: 15.0593 
 
 Surface and Volume Properties
  Accessible surface: 472.012  Positive charged surface: 355.678  Negative charged surface: 116.335  Volume: 230.875
  Hydrophobic surface: 277.48  Hydrophilic surface: 194.532
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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: no related molecules available.