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ASINEX-ZINC04059875

 MMsINC code: MMs00298807
Type: Neutral
Formula: C7H10N4O3
SMILES:   O=C1N(C)C(=O)NC(NCC)=C1N=O
InChI:   InChI=1/C7H10N4O3/c1-3-8-5-4(10-14)6(12)11(2)7(13)9-5/h8H,3H2,1-2H3,(H,9,13)

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Potential Energy
Epot(MMFF94)=13.6886 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.182 g/mol  logS: -1.24894  SlogP: -0.287  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0250598  Sterimol/B1: 2.46503  Sterimol/B2: 2.50153  Sterimol/B3: 4.03082
  Sterimol/B4: 5.37695  Sterimol/L: 12.0728 
 
 Surface and Volume Properties
  Accessible surface: 374.481  Positive charged surface: 242.801  Negative charged surface: 131.68  Volume: 170.625
  Hydrophobic surface: 221.752  Hydrophilic surface: 152.729
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.