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ALFAAESAR-ZINC02515999

 MMsINC code: MMs00023350
Type: Tautomer
Formula: C7H11F6N
SMILES:   FC(C(F)(F)N(CC)CC)C(F)(F)F
InChI:   InChI=1/C7H11F6N/c1-3-14(4-2)7(12,13)5(8)6(9,10)11/h5H,3-4H2,1-2H3/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=22.5871 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.16 g/mol  logS: -2.30883  SlogP: 4.0811  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160227  Sterimol/B1: 2.07495  Sterimol/B2: 2.72314  Sterimol/B3: 3.44884
  Sterimol/B4: 6.69567  Sterimol/L: 10.0032 
 
 Surface and Volume Properties
  Accessible surface: 364.96  Positive charged surface: 169.538  Negative charged surface: 195.422  Volume: 165.625
  Hydrophobic surface: 163.038  Hydrophilic surface: 201.922
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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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Parent related molecule:


MMs00023349
ALFAAESAR-ZINC02515999