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NCID-ZINC05493136

 MMsINC code: MMs02466575
Type: Neutral
Formula: C11H14F6N2O5
SMILES:   FC(F)(F)C(=O)NC1CC(OC(CNC(=O)C(F)(F)F)C1O)OC
InChI:   InChI=1/C11H14F6N2O5/c1-23-6-2-4(19-9(22)11(15,16)17)7(20)5(24-6)3-18-8(21)10(12,13)14/h4-7,20H,2-3H2,1H3,(H,18,21)(H,19,22)/t4-,5+,6-,7+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=120.349 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.23 g/mol  logS: -2.41574  SlogP: 0.6741  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.183193  Sterimol/B1: 2.26598  Sterimol/B2: 3.26289  Sterimol/B3: 5.46632
  Sterimol/B4: 7.21416  Sterimol/L: 14.9445 
 
 Surface and Volume Properties
  Accessible surface: 515.313  Positive charged surface: 232.565  Negative charged surface: 282.748  Volume: 262.625
  Hydrophobic surface: 177.458  Hydrophilic surface: 337.855
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.