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ENAMINE-ZINC03354916

 MMsINC code: MMs01392065
Type: Neutral
Formula: C15H11F2N3O4S
SMILES:   S(CC(=O)Nc1ccccc1OC(F)F)c1oc(nn1)-c1occc1
InChI:   InChI=1/C15H11F2N3O4S/c16-14(17)23-10-5-2-1-4-9(10)18-12(21)8-25-15-20-19-13(24-15)11-6-3-7-22-11/h1-7,14H,8H2,(H,18,21)

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Potential Energy
Epot(MMFF94)=80.9035 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.332 g/mol  logS: -6.67318  SlogP: 4.0817  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00749661  Sterimol/B1: 2.37534  Sterimol/B2: 2.55068  Sterimol/B3: 3.17763
  Sterimol/B4: 7.41445  Sterimol/L: 19.6021 
 
 Surface and Volume Properties
  Accessible surface: 586.863  Positive charged surface: 275.64  Negative charged surface: 311.223  Volume: 295.25
  Hydrophobic surface: 342.839  Hydrophilic surface: 244.024
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.