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NCID-ZINC01563901

 MMsINC code: MMs02225639
Type: Neutral
Formula: C4H6F2N2O3
SMILES:   FC(F)(C(N)C(O)=O)C(=O)N
InChI:   InChI=1/C4H6F2N2O3/c5-4(6,3(8)11)1(7)2(9)10/h1H,7H2,(H2,8,11)(H,9,10)/t1-/m1/s1

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Potential Energy
Epot(MMFF94)=52.7279 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.099 g/mol  logS: -0.25964  SlogP: -1.0612  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.124846  Sterimol/B1: 2.55761  Sterimol/B2: 3.44116  Sterimol/B3: 3.60621
  Sterimol/B4: 3.62261  Sterimol/L: 9.6354 
 
 Surface and Volume Properties
  Accessible surface: 299.327  Positive charged surface: 156.738  Negative charged surface: 142.589  Volume: 120.375
  Hydrophobic surface: 16.1193  Hydrophilic surface: 283.2077
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02225640
NCID-ZINC01563901