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CHEMBLOCK-ZINC00077290

 MMsINC code: MMs00494230
Type: Neutral
Formula: C18H13FN2S2
SMILES:   s1c2cc(N)ccc2nc1SCc1c2c(cccc2)c(F)cc1
InChI:   InChI=1/C18H13FN2S2/c19-15-7-5-11(13-3-1-2-4-14(13)15)10-22-18-21-16-8-6-12(20)9-17(16)23-18/h1-9H,10,20H2

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Potential Energy
Epot(MMFF94)=67.1351 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.446 g/mol  logS: -7.35477  SlogP: 5.7295  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0428468  Sterimol/B1: 2.49214  Sterimol/B2: 3.75967  Sterimol/B3: 4.55544
  Sterimol/B4: 7.42986  Sterimol/L: 17.4731 
 
 Surface and Volume Properties
  Accessible surface: 566.689  Positive charged surface: 281.984  Negative charged surface: 274.767  Volume: 303
  Hydrophobic surface: 445.874  Hydrophilic surface: 120.815
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.