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ACROSORGANICS-ZINC01845674

 MMsINC code: MMs00012012
Type: Neutral
Formula: C3H4F3NO
SMILES:   FC(F)(F)C(=O)NC
InChI:   InChI=1/C3H4F3NO/c1-7-2(8)3(4,5)6/h1H3,(H,7,8)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.0339 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 127.065 g/mol  logS: -0.8461  SlogP: 0.7146  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103838  Sterimol/B1: 2.63808  Sterimol/B2: 2.63815  Sterimol/B3: 2.73744
  Sterimol/B4: 3.34195  Sterimol/L: 8.35719 
 
 Surface and Volume Properties
  Accessible surface: 258.611  Positive charged surface: 123.285  Negative charged surface: 135.325  Volume: 89
  Hydrophobic surface: 88.5902  Hydrophilic surface: 170.0208
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.