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IBS-ZINC00549582

 MMsINC code: MMs01753653
Type: Neutral
Formula: C9H6F6O2S
SMILES:   S(C(F)(F)C(F)C(F)(F)F)c1ccc(O)cc1O
InChI:   InChI=1/C9H6F6O2S/c10-7(8(11,12)13)9(14,15)18-6-2-1-4(16)3-5(6)17/h1-3,7,16-17H/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=42.9515 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.199 g/mol  logS: -3.84836  SlogP: 4.9428  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0352947  Sterimol/B1: 2.52054  Sterimol/B2: 2.55671  Sterimol/B3: 2.77192
  Sterimol/B4: 5.90461  Sterimol/L: 13.3901 
 
 Surface and Volume Properties
  Accessible surface: 414.719  Positive charged surface: 151.041  Negative charged surface: 263.677  Volume: 193.25
  Hydrophobic surface: 128.241  Hydrophilic surface: 286.478
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.