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ASINEX-ZINC04186746

 MMsINC code: MMs00316103
Type: Neutral
Formula: C13H26N6O3
SMILES:   O=C1N(C)C(NC(=O)NCCC)C(NC(=O)NCCC)N1C
InChI:   InChI=1/C13H26N6O3/c1-5-7-14-11(20)16-9-10(17-12(21)15-8-6-2)19(4)13(22)18(9)3/h9-10H,5-8H2,1-4H3,(H2,14,16,20)(H2,15,17,21)/t9-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=-61.158 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.39 g/mol  logS: -0.38819  SlogP: 0.0542  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0648123  Sterimol/B1: 2.32499  Sterimol/B2: 3.77764  Sterimol/B3: 3.91056
  Sterimol/B4: 9.72947  Sterimol/L: 17.1719 
 
 Surface and Volume Properties
  Accessible surface: 625.713  Positive charged surface: 496.281  Negative charged surface: 129.433  Volume: 308.25
  Hydrophobic surface: 422.353  Hydrophilic surface: 203.36
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.