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NCID-ZINC01872252

 MMsINC code: MMs02376733
Type: Neutral
Formula: C4H6FNO4
SMILES:   FC(C(N)C(O)=O)C(O)=O
InChI:   InChI=1/C4H6FNO4/c5-1(3(7)8)2(6)4(9)10/h1-2H,6H2,(H,7,8)(H,9,10)/t1-,2+/m0/s1

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Potential Energy
Epot(MMFF94)=31.2868 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 151.093 g/mol  logS: 0.40273  SlogP: -0.7591  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.14659  Sterimol/B1: 2.6613  Sterimol/B2: 3.32189  Sterimol/B3: 3.40388
  Sterimol/B4: 3.75692  Sterimol/L: 9.91628 
 
 Surface and Volume Properties
  Accessible surface: 293.962  Positive charged surface: 155.778  Negative charged surface: 138.183  Volume: 113.25
  Hydrophobic surface: 28.6837  Hydrophilic surface: 265.2783
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02376734
NCID-ZINC01872252