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CHEMBLOCK-ZINC02492487

 MMsINC code: MMs00532269
Type: Neutral
Formula: C17H15F4NO4S
SMILES:   S(=O)(=O)(NCCOCC(F)(F)C(F)F)c1cc2c3c(oc2cc1)cccc3
InChI:   InChI=1/C17H15F4NO4S/c18-16(19)17(20,21)10-25-8-7-22-27(23,24)11-5-6-15-13(9-11)12-3-1-2-4-14(12)26-15/h1-6,9,16,22H,7-8,10H2

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Potential Energy
Epot(MMFF94)=58.1185 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.368 g/mol  logS: -5.88896  SlogP: 4.6211  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103928  Sterimol/B1: 3.59303  Sterimol/B2: 3.64808  Sterimol/B3: 5.01786
  Sterimol/B4: 7.92628  Sterimol/L: 15.6496 
 
 Surface and Volume Properties
  Accessible surface: 617.465  Positive charged surface: 284.097  Negative charged surface: 322.512  Volume: 320.5
  Hydrophobic surface: 387.617  Hydrophilic surface: 229.848
 
 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.