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ASINEX-ZINC00287332

 MMsINC code: MMs00109303
Type: Neutral
Formula: C10H19N7S
SMILES:   S=C(Nc1nc(nc(n1)NCC)NC(C)(C)C)N
InChI:   InChI=1/C10H19N7S/c1-5-12-7-14-8(13-6(11)18)16-9(15-7)17-10(2,3)4/h5H2,1-4H3,(H5,11,12,13,14,15,16,17,18)

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Potential Energy
Epot(MMFF94)=-29.0667 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.377 g/mol  logS: -4.34155  SlogP: 1.1693  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0577441  Sterimol/B1: 2.10606  Sterimol/B2: 3.62369  Sterimol/B3: 3.62457
  Sterimol/B4: 8.53172  Sterimol/L: 14.3865 
 
 Surface and Volume Properties
  Accessible surface: 498.363  Positive charged surface: 357.789  Negative charged surface: 140.575  Volume: 255.375
  Hydrophobic surface: 206.013  Hydrophilic surface: 292.35
 
 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.