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CHEMBLOCK-ZINC01440027

 MMsINC code: MMs00526212
Type: Neutral
Formula: C15H13F3N4S2
SMILES:   S=C(Nc1cc(ccc1)C(F)(F)F)NNC(=S)Nc1ccccc1
InChI:   InChI=1/C15H13F3N4S2/c16-15(17,18)10-5-4-8-12(9-10)20-14(24)22-21-13(23)19-11-6-2-1-3-7-11/h1-9H,(H2,19,21,23)(H2,20,22,24)

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Potential Energy
Epot(MMFF94)=140.496 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.423 g/mol  logS: -6.50445  SlogP: 4.2049  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0362192  Sterimol/B1: 3.3518  Sterimol/B2: 3.65253  Sterimol/B3: 4.33371
  Sterimol/B4: 5.03848  Sterimol/L: 18.9554 
 
 Surface and Volume Properties
  Accessible surface: 588.658  Positive charged surface: 227.47  Negative charged surface: 361.188  Volume: 303.25
  Hydrophobic surface: 305.703  Hydrophilic surface: 282.955
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.