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PUBCHEM-ZINC05821477

 MMsINC code: MMs03400519
Type: Neutral
Formula: C9H17NO4
SMILES:   O(CC(NC(=O)C)C(O)=O)CCCC
InChI:   InChI=1/C9H17NO4/c1-3-4-5-14-6-8(9(12)13)10-7(2)11/h8H,3-6H2,1-2H3,(H,10,11)(H,12,13)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=20.0877 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.238 g/mol  logS: -0.95315  SlogP: 0.3924  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0935603  Sterimol/B1: 2.99479  Sterimol/B2: 3.38289  Sterimol/B3: 4.17697
  Sterimol/B4: 5.68059  Sterimol/L: 14.1367 
 
 Surface and Volume Properties
  Accessible surface: 455.719  Positive charged surface: 324.384  Negative charged surface: 131.335  Volume: 203
  Hydrophobic surface: 300.104  Hydrophilic surface: 155.615
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03400520
PUBCHEM-ZINC05821477