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ASINEX-ZINC00356422

 MMsINC code: MMs00123615
Type: Neutral
Formula: C10H14N4O4
SMILES:   O=C1N(C2N(C)C(=O)N(C2N1C)C(=O)C)C(=O)C
InChI:   InChI=1/C10H14N4O4/c1-5(15)13-7-8(12(4)9(13)17)14(6(2)16)10(18)11(7)3/h7-8H,1-4H3/t7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=24.744 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: 0.127078  Sterimol/B1: 2.52181  Sterimol/B2: 4.36683  Sterimol/B3: 4.4557
  Sterimol/B4: 5.64629  Sterimol/L: 12.5579 
 
 Surface and Volume Properties
  Accessible surface: 427.172  Positive charged surface: 308.21  Negative charged surface: 118.962  Volume: 218.75
  Hydrophobic surface: 310.093  Hydrophilic surface: 117.079
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.