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APOLLO-ZINC01529483

 MMsINC code: MMs00049427
Type: Neutral
Formula: C3H6FNO2
SMILES:   FCC(N)C(O)=O
InChI:   InChI=1/C3H6FNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m1/s1

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Potential Energy
Epot(MMFF94)=21.7515 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 107.084 g/mol  logS: 0.39857  SlogP: -0.6322  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.245742  Sterimol/B1: 2.42119  Sterimol/B2: 2.56447  Sterimol/B3: 3.20903
  Sterimol/B4: 4.50626  Sterimol/L: 8.0892 
 
 Surface and Volume Properties
  Accessible surface: 252.818  Positive charged surface: 156.536  Negative charged surface: 96.2813  Volume: 86.875
  Hydrophobic surface: 67.0043  Hydrophilic surface: 185.8137
 
 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: no related molecules available.