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NCID-ZINC01672212

 MMsINC code: MMs02308298
Type: Neutral
Formula: C10H15N5S
SMILES:   S(C)c1nc(nc2n(cnc12)CCCC)N
InChI:   InChI=1/C10H15N5S/c1-3-4-5-15-6-12-7-8(15)13-10(11)14-9(7)16-2/h6H,3-5H2,1-2H3,(H2,11,13,14)

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Potential Energy
Epot(MMFF94)=0.152151 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.331 g/mol  logS: -4.06543  SlogP: 2.1969  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0598181  Sterimol/B1: 2.2041  Sterimol/B2: 4.02211  Sterimol/B3: 4.28851
  Sterimol/B4: 5.49288  Sterimol/L: 15.2459 
 
 Surface and Volume Properties
  Accessible surface: 473.44  Positive charged surface: 341.849  Negative charged surface: 131.592  Volume: 226.375
  Hydrophobic surface: 288.166  Hydrophilic surface: 185.274
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.