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CHEMBLOCK-ZINC02504111

 MMsINC code: MMs00532625
Type: Neutral
Formula: C16H14F3NO4S
SMILES:   S(=O)(=O)(NCCOCC(F)(F)F)c1cc2c3c(oc2cc1)cccc3
InChI:   InChI=1/C16H14F3NO4S/c17-16(18,19)10-23-8-7-20-25(21,22)11-5-6-15-13(9-11)12-3-1-2-4-14(12)24-15/h1-6,9,20H,7-8,10H2

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Potential Energy
Epot(MMFF94)=55.0321 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.351 g/mol  logS: -5.7405  SlogP: 3.8631  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0960705  Sterimol/B1: 3.14169  Sterimol/B2: 3.98622  Sterimol/B3: 4.39864
  Sterimol/B4: 7.36155  Sterimol/L: 15.5854 
 
 Surface and Volume Properties
  Accessible surface: 587.605  Positive charged surface: 273.27  Negative charged surface: 303.479  Volume: 298.875
  Hydrophobic surface: 381.46  Hydrophilic surface: 206.145
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.