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CHEMSTAR-ZINC04105604

 MMsINC code: MMs01102519
Type: Neutral
Formula: C17H11FN2OS3
SMILES:   S1\C(=C/2\Sc3c(N\2C)cccc3)\C(=O)N(c2ccc(F)cc2)C1=S
InChI:   InChI=1/C17H11FN2OS3/c1-19-12-4-2-3-5-13(12)23-16(19)14-15(21)20(17(22)24-14)11-8-6-10(18)7-9-11/h2-9H,1H3/b16-14-

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Potential Energy
Epot(MMFF94)=134.902 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.484 g/mol  logS: -7.00668  SlogP: 4.6016  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0409756  Sterimol/B1: 2.52388  Sterimol/B2: 2.61178  Sterimol/B3: 4.13706
  Sterimol/B4: 6.92739  Sterimol/L: 16.9454 
 
 Surface and Volume Properties
  Accessible surface: 558.448  Positive charged surface: 248.335  Negative charged surface: 310.112  Volume: 309.875
  Hydrophobic surface: 396.11  Hydrophilic surface: 162.338
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.