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NCID-ZINC01708397

 MMsINC code: MMs02336217
Type: Neutral
Formula: C10H14N6OS
SMILES:   S(C)c1ncnc2n(cnc12)CCNC(=O)NC
InChI:   InChI=1/C10H14N6OS/c1-11-10(17)12-3-4-16-6-15-7-8(16)13-5-14-9(7)18-2/h5-6H,3-4H2,1-2H3,(H2,11,12,17)

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Potential Energy
Epot(MMFF94)=4.36382 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.329 g/mol  logS: -2.7124  SlogP: 0.7436  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0444743  Sterimol/B1: 2.55329  Sterimol/B2: 2.96621  Sterimol/B3: 3.91227
  Sterimol/B4: 5.73186  Sterimol/L: 17.6024 
 
 Surface and Volume Properties
  Accessible surface: 500.563  Positive charged surface: 383.263  Negative charged surface: 117.301  Volume: 239.75
  Hydrophobic surface: 306.115  Hydrophilic surface: 194.448
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.