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NCID-ZINC01640661

 MMsINC code: MMs02282677
Type: Neutral
Formula: C14H22F4S
SMILES:   S1C2C(CCCCCCCCCC2)C(F)(F)C1(F)F
InChI:   InChI=1/C14H22F4S/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12(11)19-14(13,17)18/h11-12H,1-10H2/t11-,12+/m1/s1

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Potential Energy
Epot(MMFF94)=118.177 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.388 g/mol  logS: -6.63092  SlogP: 6.7005  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127863  Sterimol/B1: 2.77589  Sterimol/B2: 3.43354  Sterimol/B3: 4.27247
  Sterimol/B4: 5.21538  Sterimol/L: 12.2204 
 
 Surface and Volume Properties
  Accessible surface: 454.959  Positive charged surface: 250.017  Negative charged surface: 204.943  Volume: 259.5
  Hydrophobic surface: 300.934  Hydrophilic surface: 154.025
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.