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PUBCHEM-ZINC01631157

 MMsINC code: MMs02816925
Type: Neutral
Formula: C8H8N4O4
SMILES:   O=C1N(C=2N(C)C(=O)NC(=O)C=2NC1=O)C
InChI:   InChI=1/C8H8N4O4/c1-11-6-3(9-5(14)7(11)15)4(13)10-8(16)12(6)2/h1-2H3,(H,9,14)(H,10,13,16)

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Potential Energy
Epot(MMFF94)=45.8389 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.176 g/mol  logS: -1.11536  SlogP: -2.0747  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100626  Sterimol/B1: 2.17555  Sterimol/B2: 2.1902  Sterimol/B3: 3.63431
  Sterimol/B4: 7.02834  Sterimol/L: 10.2268 
 
 Surface and Volume Properties
  Accessible surface: 366.93  Positive charged surface: 236.431  Negative charged surface: 130.499  Volume: 176.375
  Hydrophobic surface: 129.529  Hydrophilic surface: 237.401
 
 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.