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NCID-ZINC01574177

 MMsINC code: MMs02233422
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)=39.1156 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: 0.0865585  Sterimol/B1: 2.79258  Sterimol/B2: 2.82987  Sterimol/B3: 3.49075
  Sterimol/B4: 4.11006  Sterimol/L: 10.8947 
 
 Surface and Volume Properties
  Accessible surface: 327.813  Positive charged surface: 213.795  Negative charged surface: 114.018  Volume: 131.625
  Hydrophobic surface: 123.321  Hydrophilic surface: 204.492
 
 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


MMs02233423
NCID-ZINC01574177