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CHEMDIV-ZINC07005628

 MMsINC code: MMs01070922
Type: Neutral
Formula: C18H16F2N2O4S
SMILES:   S(=O)(=O)(Nc1cc(F)c(F)cc1)c1cc(ccc1OC)-c1onc(C)c1C
InChI:   InChI=1/C18H16F2N2O4S/c1-10-11(2)21-26-18(10)12-4-7-16(25-3)17(8-12)27(23,24)22-13-5-6-14(19)15(20)9-13/h4-9,22H,1-3H3

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Potential Energy
Epot(MMFF94)=76.0032 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.398 g/mol  logS: -5.20245  SlogP: 4.04604  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.200116  Sterimol/B1: 2.82768  Sterimol/B2: 5.72409  Sterimol/B3: 6.30819
  Sterimol/B4: 6.38815  Sterimol/L: 13.9157 
 
 Surface and Volume Properties
  Accessible surface: 595.177  Positive charged surface: 318.274  Negative charged surface: 276.902  Volume: 328.25
  Hydrophobic surface: 491.769  Hydrophilic surface: 103.408
 
 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.