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NCID-ZINC01568477

 MMsINC code: MMs02229331
Type: Neutral
Formula: C4H7FN2O3
SMILES:   FC(C(N)C(O)=O)C(=O)N
InChI:   InChI=1/C4H7FN2O3/c5-1(3(7)8)2(6)4(9)10/h1-2H,6H2,(H2,7,8)(H,9,10)/t1-,2+/m0/s1

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Potential Energy
Epot(MMFF94)=33.3188 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.109 g/mol  logS: 0.12001  SlogP: -1.3584  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.162906  Sterimol/B1: 2.9714  Sterimol/B2: 3.25809  Sterimol/B3: 3.41057
  Sterimol/B4: 3.74622  Sterimol/L: 9.85424 
 
 Surface and Volume Properties
  Accessible surface: 302.622  Positive charged surface: 177.235  Negative charged surface: 125.387  Volume: 117.75
  Hydrophobic surface: 25.6451  Hydrophilic surface: 276.9769
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02229332
NCID-ZINC01568477