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APOLLO-ZINC04329345

 MMsINC code: MMs00059070
Type: Ionized
Formula: C5H8FN2O3-
SMILES:   FC(N)(CCC(=O)N)C(=O)[O-]
InChI:   InChI=1/C5H9FN2O3/c6-5(8,4(10)11)2-1-3(7)9/h1-2,8H2,(H2,7,9)(H,10,11)/p-1/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=32.0788 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 163.128 g/mol  logS: -0.28009  SlogP: -1.9538  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.087876  Sterimol/B1: 2.85057  Sterimol/B2: 3.01536  Sterimol/B3: 3.12215
  Sterimol/B4: 4.07953  Sterimol/L: 11.3258 
 
 Surface and Volume Properties
  Accessible surface: 323.038  Positive charged surface: 174.761  Negative charged surface: 148.277  Volume: 132
  Hydrophobic surface: 55.7061  Hydrophilic surface: 267.3319
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs00059069
APOLLO-ZINC04329345