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PUBCHEM-ZINC05783565

 MMsINC code: MMs03384357
Type: Neutral
Formula: C7H8N4O3
SMILES:   O=C1NC(=O)NC=2N(C)C(=O)N(C1=2)C
InChI:   InChI=1/C7H8N4O3/c1-10-3-4(11(2)7(10)14)8-6(13)9-5(3)12/h1-2H3,(H2,8,9,12,13)

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Potential Energy
Epot(MMFF94)=-2.60817 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.166 g/mol  logS: -0.78401  SlogP: -1.0079  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0362923  Sterimol/B1: 2.41413  Sterimol/B2: 2.51193  Sterimol/B3: 2.51314
  Sterimol/B4: 6.84641  Sterimol/L: 10.3432 
 
 Surface and Volume Properties
  Accessible surface: 351.101  Positive charged surface: 255.314  Negative charged surface: 95.7863  Volume: 161.5
  Hydrophobic surface: 155.853  Hydrophilic surface: 195.248
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.