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IBS-ZINC04784919

 MMsINC code: MMs01892873
Type: Neutral
Formula: C14H22N8S2
SMILES:   S(SCCNc1nc(nc(c1)C)N)CCNc1nc(nc(c1)C)N
InChI:   InChI=1/C14H22N8S2/c1-9-7-11(21-13(15)19-9)17-3-5-23-24-6-4-18-12-8-10(2)20-14(16)22-12/h7-8H,3-6H2,1-2H3,(H3,15,17,19,21)(H3,16,18,20,22)

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Potential Energy
Epot(MMFF94)=-35.5287 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.518 g/mol  logS: -4.56808  SlogP: 1.95324  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0321117  Sterimol/B1: 2.18982  Sterimol/B2: 2.69275  Sterimol/B3: 4.95623
  Sterimol/B4: 6.52904  Sterimol/L: 20.6839 
 
 Surface and Volume Properties
  Accessible surface: 673.345  Positive charged surface: 465.985  Negative charged surface: 207.36  Volume: 340.625
  Hydrophobic surface: 324.176  Hydrophilic surface: 349.169
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.