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ENAMINE-ZINC06559953

 MMsINC code: MMs01674142
Type: Neutral
Formula: C17H13FN2O3S
SMILES:   S(CC(=O)NNC(=O)c1oc2c(c1)cccc2)c1ccccc1F
InChI:   InChI=1/C17H13FN2O3S/c18-12-6-2-4-8-15(12)24-10-16(21)19-20-17(22)14-9-11-5-1-3-7-13(11)23-14/h1-9H,10H2,(H,19,21)(H,20,22)

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Potential Energy
Epot(MMFF94)=86.055 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.366 g/mol  logS: -6.52447  SlogP: 3.1252  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00136474  Sterimol/B1: 2.37414  Sterimol/B2: 2.37597  Sterimol/B3: 4.21998
  Sterimol/B4: 4.2315  Sterimol/L: 20.9212 
 
 Surface and Volume Properties
  Accessible surface: 597.071  Positive charged surface: 299.656  Negative charged surface: 291.571  Volume: 300.125
  Hydrophobic surface: 446.131  Hydrophilic surface: 150.94
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.