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ASINEX-ZINC04866956

 MMsINC code: MMs00390160
Type: Neutral
Formula: C10H22N8O
SMILES:   O(NC(Nc1nc(nc(n1)NCC)NC(C)C)N)C
InChI:   InChI=1/C10H22N8O/c1-5-12-8-15-9(13-6(2)3)17-10(16-8)14-7(11)18-19-4/h6-7,18H,5,11H2,1-4H3,(H3,12,13,14,15,16,17)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=-109.231 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.341 g/mol  logS: -1.59421  SlogP: -0.0711  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0510138  Sterimol/B1: 2.19211  Sterimol/B2: 3.31203  Sterimol/B3: 3.31861
  Sterimol/B4: 9.77448  Sterimol/L: 15.56 
 
 Surface and Volume Properties
  Accessible surface: 559.49  Positive charged surface: 461.786  Negative charged surface: 97.7036  Volume: 268.375
  Hydrophobic surface: 309.647  Hydrophilic surface: 249.843
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.