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ASINEX-ZINC02769120

 MMsINC code: MMs00277814
Type: Neutral
Formula: C10H11N7OS
SMILES:   S(CC(=O)Nc1ncccn1)c1nc(N)cc(n1)N
InChI:   InChI=1/C10H11N7OS/c11-6-4-7(12)16-10(15-6)19-5-8(18)17-9-13-2-1-3-14-9/h1-4H,5H2,(H4,11,12,15,16)(H,13,14,17,18)

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Potential Energy
Epot(MMFF94)=-13.1579 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.312 g/mol  logS: -3.47619  SlogP: 0.1618  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00262158  Sterimol/B1: 2.37342  Sterimol/B2: 2.37668  Sterimol/B3: 3.79712
  Sterimol/B4: 4.83021  Sterimol/L: 17.0846 
 
 Surface and Volume Properties
  Accessible surface: 497.958  Positive charged surface: 351.807  Negative charged surface: 146.151  Volume: 238.625
  Hydrophobic surface: 200.288  Hydrophilic surface: 297.67
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.