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NCID-ZINC01574179

 MMsINC code: MMs02233425
Type: Neutral
Formula: C5H8FNO4
SMILES:   FC(C(N)C(O)=O)C(OC)=O
InChI:   InChI=1/C5H8FNO4/c1-11-5(10)2(6)3(7)4(8)9/h2-3H,7H2,1H3,(H,8,9)/t2-,3+/m0/s1

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Potential Energy
Epot(MMFF94)=36.0422 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 165.12 g/mol  logS: -0.0096  SlogP: -0.6707  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0883501  Sterimol/B1: 2.76667  Sterimol/B2: 3.2334  Sterimol/B3: 3.48759
  Sterimol/B4: 3.67523  Sterimol/L: 11.2114 
 
 Surface and Volume Properties
  Accessible surface: 334.358  Positive charged surface: 218.717  Negative charged surface: 115.641  Volume: 132.375
  Hydrophobic surface: 121.463  Hydrophilic surface: 212.895
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs02233426
NCID-ZINC01574179