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PUBCHEM-ZINC05560845

 MMsINC code: MMs03307167
Type: Neutral
Formula: C6H10FNO3
SMILES:   FC(CCC)(C(=O)N)C(O)=O
InChI:   InChI=1/C6H10FNO3/c1-2-3-6(7,4(8)9)5(10)11/h2-3H2,1H3,(H2,8,9)(H,10,11)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=25.0284 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 163.148 g/mol  logS: -1.23283  SlogP: 0.4846  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.189962  Sterimol/B1: 2.60571  Sterimol/B2: 3.23663  Sterimol/B3: 3.61384
  Sterimol/B4: 4.29685  Sterimol/L: 10.4788 
 
 Surface and Volume Properties
  Accessible surface: 332.443  Positive charged surface: 194.347  Negative charged surface: 138.096  Volume: 139.375
  Hydrophobic surface: 108.349  Hydrophilic surface: 224.094
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs03307168
PUBCHEM-ZINC05560845