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ENAMINE-ZINC04827328

 MMsINC code: MMs01553812
Type: Neutral
Formula: C10H8F3NO4
SMILES:   FC(F)(F)Oc1ccc(cc1)C(OCC(=O)N)=O
InChI:   InChI=1/C10H8F3NO4/c11-10(12,13)18-7-3-1-6(2-4-7)9(16)17-5-8(14)15/h1-4H,5H2,(H2,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.9826 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.171 g/mol  logS: -3.2345  SlogP: 1.6472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0123265  Sterimol/B1: 2.49336  Sterimol/B2: 2.63609  Sterimol/B3: 2.64005
  Sterimol/B4: 5.70587  Sterimol/L: 15.218 
 
 Surface and Volume Properties
  Accessible surface: 440.368  Positive charged surface: 203.565  Negative charged surface: 236.803  Volume: 199.875
  Hydrophobic surface: 172.239  Hydrophilic surface: 268.129
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.