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NANOSIN-ZINC04509042

 MMsINC code: MMs02207664
Type: Neutral
Formula: C14H19F4NO2S2
SMILES:   S(=O)(=O)(N=S(CC(F)(F)C(F)F)CCCCC)c1ccccc1
InChI:   InChI=1/C14H19F4NO2S2/c1-2-3-7-10-22(11-14(17,18)13(15)16)19-23(20,21)12-8-5-4-6-9-12/h4-6,8-9,13H,2-3,7,10-11H2,1H3/t22-/m0/s1

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Potential Energy
Epot(MMFF94)=92.6638 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.435 g/mol  logS: -5.29418  SlogP: 5.2127  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0700714  Sterimol/B1: 2.45851  Sterimol/B2: 2.91387  Sterimol/B3: 4.0387
  Sterimol/B4: 9.14353  Sterimol/L: 16.9147 
 
 Surface and Volume Properties
  Accessible surface: 588.281  Positive charged surface: 290.405  Negative charged surface: 297.875  Volume: 304.5
  Hydrophobic surface: 379.401  Hydrophilic surface: 208.88
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 3  Basic groups: 1
  Chiral centers: 0
 
 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.