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NCID-ZINC05431206

 MMsINC code: MMs02460963
Type: Neutral
Formula: C9H14F3NO4
SMILES:   FC(F)(F)C(=O)NC1CC(OC(C)C1O)OC
InChI:   InChI=1/C9H14F3NO4/c1-4-7(14)5(3-6(16-2)17-4)13-8(15)9(10,11)12/h4-7,14H,3H2,1-2H3,(H,13,15)/t4-,5+,6+,7-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.6256 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.208 g/mol  logS: -1.48739  SlogP: 0.5956  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.161421  Sterimol/B1: 2.00488  Sterimol/B2: 2.37548  Sterimol/B3: 5.04412
  Sterimol/B4: 5.9167  Sterimol/L: 12.2649 
 
 Surface and Volume Properties
  Accessible surface: 434.109  Positive charged surface: 255.71  Negative charged surface: 178.399  Volume: 205.375
  Hydrophobic surface: 202.812  Hydrophilic surface: 231.297
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.