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ASINEX-ZINC00356444

 MMsINC code: MMs00123624
Type: Neutral
Formula: C10H14N4O4
SMILES:   O=C1N(C2N(C(=O)C)C(=O)N(C2N1C)C)C(=O)C
InChI:   InChI=1/C10H14N4O4/c1-5(15)13-8-7(11(3)9(13)17)12(4)10(18)14(8)6(2)16/h7-8H,1-4H3/t7-,8+

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Potential Energy
Epot(MMFF94)=25.0536 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.246 g/mol  logS: -0.04264  SlogP: -0.5336  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153981  Sterimol/B1: 2.1695  Sterimol/B2: 2.48997  Sterimol/B3: 4.24765
  Sterimol/B4: 7.89459  Sterimol/L: 9.7675 
 
 Surface and Volume Properties
  Accessible surface: 423.651  Positive charged surface: 308.342  Negative charged surface: 115.309  Volume: 218.625
  Hydrophobic surface: 309.769  Hydrophilic surface: 113.882
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.