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NCID-ZINC01644582

 MMsINC code: MMs02285637
Type: Neutral
Formula: C10H16F6N2O3
SMILES:   FC(F)(F)C(OCCN(C)C)(NC(OCC)=O)C(F)(F)F
InChI:   InChI=1/C10H16F6N2O3/c1-4-20-7(19)17-8(9(11,12)13,10(14,15)16)21-6-5-18(2)3/h4-6H2,1-3H3,(H,17,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.6873 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.237 g/mol  logS: -2.42961  SlogP: 2.9714  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.202003  Sterimol/B1: 3.26635  Sterimol/B2: 4.17314  Sterimol/B3: 4.67882
  Sterimol/B4: 6.26211  Sterimol/L: 11.4756 
 
 Surface and Volume Properties
  Accessible surface: 487.685  Positive charged surface: 293.706  Negative charged surface: 193.979  Volume: 248.875
  Hydrophobic surface: 267.165  Hydrophilic surface: 220.52
 
 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


MMs02285638
NCID-ZINC01644582