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CHEMBLOCK-ZINC02479699

 MMsINC code: MMs00531924
Type: Neutral
Formula: C10H8F4O4S
SMILES:   S(C(F)(C(OC)=O)C(F)(F)F)c1ccc(O)cc1O
InChI:   InChI=1/C10H8F4O4S/c1-18-8(17)9(11,10(12,13)14)19-7-3-2-5(15)4-6(7)16/h2-4,15-16H,1H3/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=77.1773 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.228 g/mol  logS: -3.55319  SlogP: 3.4308  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0994707  Sterimol/B1: 2.19019  Sterimol/B2: 2.55732  Sterimol/B3: 3.99819
  Sterimol/B4: 6.82501  Sterimol/L: 11.8341 
 
 Surface and Volume Properties
  Accessible surface: 443.55  Positive charged surface: 219.564  Negative charged surface: 223.986  Volume: 215.625
  Hydrophobic surface: 191.814  Hydrophilic surface: 251.736
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.