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ACROSORGANICS-ZINC01733908

 MMsINC code: MMs00011746
Type: Neutral
Formula: C5H9NO4
SMILES:   OC(=O)C(NC)CC(O)=O
InChI:   InChI=1/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=15.2346 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 147.13 g/mol  logS: 0.76892  SlogP: -0.8663  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130471  Sterimol/B1: 2.3582  Sterimol/B2: 2.61268  Sterimol/B3: 3.03948
  Sterimol/B4: 5.94607  Sterimol/L: 9.28038 
 
 Surface and Volume Properties
  Accessible surface: 320.979  Positive charged surface: 218.226  Negative charged surface: 102.752  Volume: 129.125
  Hydrophobic surface: 126.295  Hydrophilic surface: 194.684
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs00011747
ACROSORGANICS-ZINC01733908