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ASINEX-ZINC04186734

 MMsINC code: MMs00316100
Type: Neutral
Formula: C11H22N6O3
SMILES:   O=C1N(C)C(NC(=O)N(C)C)C(NC(=O)N(C)C)N1C
InChI:   InChI=1/C11H22N6O3/c1-14(2)9(18)12-7-8(13-10(19)15(3)4)17(6)11(20)16(7)5/h7-8H,1-6H3,(H,12,18)(H,13,19)/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=-29.491 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.336 g/mol  logS: 0.88175  SlogP: -0.8218  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.173142  Sterimol/B1: 2.5205  Sterimol/B2: 3.20992  Sterimol/B3: 5.37944
  Sterimol/B4: 7.25102  Sterimol/L: 13.5103 
 
 Surface and Volume Properties
  Accessible surface: 548.31  Positive charged surface: 481.1  Negative charged surface: 67.2101  Volume: 273.125
  Hydrophobic surface: 446.439  Hydrophilic surface: 101.871
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.