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CHEMBLOCK-ZINC03103050

 MMsINC code: MMs00536431
Type: Neutral
Formula: C9H5ClF6O3S
SMILES:   ClC(F)(OC(F)(F)F)C(Sc1ccc(O)cc1O)(F)F
InChI:   InChI=1/C9H5ClF6O3S/c10-7(11,19-9(14,15)16)8(12,13)20-6-2-1-4(17)3-5(6)18/h1-3,17-18H/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=53.4017 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.643 g/mol  logS: -4.92416  SlogP: 5.4409  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0314111  Sterimol/B1: 2.55261  Sterimol/B2: 3.0286  Sterimol/B3: 3.07608
  Sterimol/B4: 5.89618  Sterimol/L: 14.2228 
 
 Surface and Volume Properties
  Accessible surface: 450.479  Positive charged surface: 135.623  Negative charged surface: 314.855  Volume: 217.125
  Hydrophobic surface: 111.18  Hydrophilic surface: 339.299
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.