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CHEMBLOCK-ZINC01072810

 MMsINC code: MMs00513757
Type: Neutral
Formula: C14H11F6NO2S
SMILES:   S(C(F)(F)C(F)C(F)(F)F)C=1C(=O)c2c(NC=1C)c(OC)ccc2
InChI:   InChI=1/C14H11F6NO2S/c1-6-11(24-14(19,20)12(15)13(16,17)18)10(22)7-4-3-5-8(23-2)9(7)21-6/h3-5,12H,1-2H3,(H,21,22)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=85.6987 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.301 g/mol  logS: -5.48761  SlogP: 6.021  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0529312  Sterimol/B1: 2.23553  Sterimol/B2: 2.94829  Sterimol/B3: 4.31046
  Sterimol/B4: 7.67689  Sterimol/L: 15.8397 
 
 Surface and Volume Properties
  Accessible surface: 520.068  Positive charged surface: 247.302  Negative charged surface: 272.766  Volume: 272.875
  Hydrophobic surface: 295.769  Hydrophilic surface: 224.299
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.