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NCID-ZINC05582559

 MMsINC code: MMs02478217
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+/m1/s1

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Potential Energy
Epot(MMFF94)=140.905 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: 0.135364  Sterimol/B1: 2.41079  Sterimol/B2: 3.99664  Sterimol/B3: 5.44778
  Sterimol/B4: 6.18799  Sterimol/L: 14.534 
 
 Surface and Volume Properties
  Accessible surface: 555.654  Positive charged surface: 247.796  Negative charged surface: 307.857  Volume: 316.5
  Hydrophobic surface: 258.632  Hydrophilic surface: 297.022
 
 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.