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NCID-ZINC06041377

 MMsINC code: MMs02519590
Type: Neutral
Formula: C10H11F3N2O4
SMILES:   FC(F)(F)C1CC(OC1N1C=CC(=O)NC1=O)CO
InChI:   InChI=1/C10H11F3N2O4/c11-10(12,13)6-3-5(4-16)19-8(6)15-2-1-7(17)14-9(15)18/h1-2,5-6,8,16H,3-4H2,(H,14,17,18)/t5-,6-,8-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.756 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.202 g/mol  logS: -1.63782  SlogP: 0.7576  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100248  Sterimol/B1: 2.52575  Sterimol/B2: 3.07551  Sterimol/B3: 3.39155
  Sterimol/B4: 6.99289  Sterimol/L: 11.6155 
 
 Surface and Volume Properties
  Accessible surface: 421.596  Positive charged surface: 221.573  Negative charged surface: 200.023  Volume: 210.375
  Hydrophobic surface: 162.505  Hydrophilic surface: 259.091
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.