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NCID-ZINC05065171

 MMsINC code: MMs02436618
Type: Ionized
Formula: C13H19F4O2S-
SMILES:   S1C(F)(F)C(F)(F)CC1CCCCCCCCC(=O)[O-]
InChI:   InChI=1/C13H20F4O2S/c14-12(15)9-10(20-13(12,16)17)7-5-3-1-2-4-6-8-11(18)19/h10H,1-9H2,(H,18,19)/p-1/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=28.9804 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.351 g/mol  logS: -5.20007  SlogP: 4.4305  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0308719  Sterimol/B1: 2.24016  Sterimol/B2: 2.78244  Sterimol/B3: 3.75646
  Sterimol/B4: 4.66212  Sterimol/L: 19.3135 
 
 Surface and Volume Properties
  Accessible surface: 540.863  Positive charged surface: 287.645  Negative charged surface: 253.218  Volume: 267.5
  Hydrophobic surface: 286.474  Hydrophilic surface: 254.389
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  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:


MMs02436617
NCID-ZINC05065171