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PUBCHEM-ZINC05675078

MMsINC code: MMs03343690

Type: Ionized
Formula: C5H8F2NO2-
SMILES:   FC(F)C(C(N)C(=O)[O-])C
InChI:   InChI=1/C5H9F2NO2/c1-2(4(6)7)3(8)5(9)10/h2-4H,8H2,1H3,(H,9,10)/p-1/t2-,3-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=30.2072 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.12 g/mol  logS: -0.46984  SlogP: -0.6153  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.378874  Sterimol/B1: 2.19629  Sterimol/B2: 2.7793  Sterimol/B3: 4.23903
  Sterimol/B4: 4.83035  Sterimol/L: 8.93796 
 
 Surface and Volume Properties
  Accessible surface: 298.453  Positive charged surface: 144.327  Negative charged surface: 154.126  Volume: 122.125
  Hydrophobic surface: 85.1429  Hydrophilic surface: 213.3101
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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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MMs03343689
PUBCHEM-ZINC05675078