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PUBCHEM-ZINC05113917

 MMsINC code: MMs03202005
Type: Neutral
Formula: C7H14F2N4O2
SMILES:   FC(F)C(N)(CCCN=C(N)N)C(O)=O
InChI:   InChI=1/C7H14F2N4O2/c8-4(9)7(12,5(14)15)2-1-3-13-6(10)11/h4H,1-3,12H2,(H,14,15)(H4,10,11,13)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=20.776 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.211 g/mol  logS: -0.52993  SlogP: -0.4929  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.104835  Sterimol/B1: 3.24751  Sterimol/B2: 3.33388  Sterimol/B3: 3.62024
  Sterimol/B4: 3.83444  Sterimol/L: 13.1976 
 
 Surface and Volume Properties
  Accessible surface: 416.467  Positive charged surface: 269.819  Negative charged surface: 146.648  Volume: 187.375
  Hydrophobic surface: 80.0349  Hydrophilic surface: 336.4321
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 4  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.