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ENAMINE-ZINC05795836

 MMsINC code: MMs01639723
Type: Neutral
Formula: C15H10FN5S2
SMILES:   s1c2c(nc1CSc1nnnn1-c1cc(F)ccc1)cccc2
InChI:   InChI=1/C15H10FN5S2/c16-10-4-3-5-11(8-10)21-15(18-19-20-21)22-9-14-17-12-6-1-2-7-13(12)23-14/h1-8H,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.6804 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.41 g/mol  logS: -5.25628  SlogP: 3.9698  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0530361  Sterimol/B1: 3.08236  Sterimol/B2: 3.87837  Sterimol/B3: 4.76475
  Sterimol/B4: 6.39993  Sterimol/L: 16.6043 
 
 Surface and Volume Properties
  Accessible surface: 558.984  Positive charged surface: 231.121  Negative charged surface: 294.246  Volume: 287.75
  Hydrophobic surface: 463.149  Hydrophilic surface: 95.835
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.