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ASINEX-ZINC04615396

 MMsINC code: MMs00356398
Type: Neutral
Formula: C11H22N6O3
SMILES:   O=C1N(C)C(NC(=O)NCC)C(NC(=O)NCC)N1C
InChI:   InChI=1/C11H22N6O3/c1-5-12-9(18)14-7-8(15-10(19)13-6-2)17(4)11(20)16(7)3/h7-8H,5-6H2,1-4H3,(H2,12,14,18)(H2,13,15,19)/t7-,8+

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Potential Energy
Epot(MMFF94)=-56.1203 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.336 g/mol  logS: 0.01535  SlogP: -0.726  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0832234  Sterimol/B1: 2.13333  Sterimol/B2: 2.47231  Sterimol/B3: 3.79141
  Sterimol/B4: 9.55783  Sterimol/L: 13.0877 
 
 Surface and Volume Properties
  Accessible surface: 559.54  Positive charged surface: 443.839  Negative charged surface: 115.701  Volume: 273.125
  Hydrophobic surface: 374.685  Hydrophilic surface: 184.855
 
 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.