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ASINEX-ZINC04736205

 MMsINC code: MMs00367923
Type: Neutral
Formula: C15H14FN5OS2
SMILES:   s1cc(nc1NC(=O)CSc1nnc(n1C)-c1ccc(F)cc1)C
InChI:   InChI=1/C15H14FN5OS2/c1-9-7-23-14(17-9)18-12(22)8-24-15-20-19-13(21(15)2)10-3-5-11(16)6-4-10/h3-7H,8H2,1-2H3,(H,17,18,22)

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Potential Energy
Epot(MMFF94)=64.5951 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.441 g/mol  logS: -6.26236  SlogP: 3.47612  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00526289  Sterimol/B1: 2.39148  Sterimol/B2: 2.4889  Sterimol/B3: 3.26709
  Sterimol/B4: 4.80864  Sterimol/L: 21.4348 
 
 Surface and Volume Properties
  Accessible surface: 601.979  Positive charged surface: 327.816  Negative charged surface: 274.163  Volume: 310.625
  Hydrophobic surface: 455.593  Hydrophilic surface: 146.386
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.