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APOLLO-ZINC01675552

 MMsINC code: MMs00049737
Type: Neutral
Formula: C8H15F3O
SMILES:   FC(F)(F)C(O)CCCCCC
InChI:   InChI=1/C8H15F3O/c1-2-3-4-5-6-7(12)8(9,10)11/h7,12H,2-6H2,1H3/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=28.7499 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.201 g/mol  logS: -3.06085  SlogP: 3.2999  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0645864  Sterimol/B1: 2.79997  Sterimol/B2: 2.92389  Sterimol/B3: 3.1722
  Sterimol/B4: 3.32259  Sterimol/L: 13.7228 
 
 Surface and Volume Properties
  Accessible surface: 392.022  Positive charged surface: 237.12  Negative charged surface: 154.903  Volume: 169.375
  Hydrophobic surface: 228.203  Hydrophilic surface: 163.819
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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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Ions/Tautomers related molecules


MMs00049738
APOLLO-ZINC01675552