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NCID-ZINC05582558

 MMsINC code: MMs02478216
Type: Neutral
Formula: C18H21F6NO
SMILES:   FC(F)(F)c1cc(cc(NC2C3CCC(C)(C2O)C3(C)C)c1)C(F)(F)F
InChI:   InChI=1/C18H21F6NO/c1-15(2)12-4-5-16(15,3)14(26)13(12)25-11-7-9(17(19,20)21)6-10(8-11)18(22,23)24/h6-8,12-14,25-26H,4-5H2,1-3H3/t12-,13-,14+,16+/m0/s1

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Potential Energy
Epot(MMFF94)=145.008 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.36 g/mol  logS: -5.37976  SlogP: 5.9447  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12174  Sterimol/B1: 3.27758  Sterimol/B2: 3.55543  Sterimol/B3: 4.69519
  Sterimol/B4: 6.0853  Sterimol/L: 13.6898 
 
 Surface and Volume Properties
  Accessible surface: 545.404  Positive charged surface: 237.484  Negative charged surface: 307.92  Volume: 314.875
  Hydrophobic surface: 268.548  Hydrophilic surface: 276.856
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.