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PUBCHEM-ZINC01849200

 MMsINC code: MMs02825141
Type: Neutral
Formula: C10H11N3O3
SMILES:   O(C)c1cc2c(NC(=O)N=C2N)cc1OC
InChI:   InChI=1/C10H11N3O3/c1-15-7-3-5-6(4-8(7)16-2)12-10(14)13-9(5)11/h3-4H,1-2H3,(H3,11,12,13,14)

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Potential Energy
Epot(MMFF94)=42.8472 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.216 g/mol  logS: -2.23942  SlogP: 0.9546  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0204298  Sterimol/B1: 2.36859  Sterimol/B2: 2.37381  Sterimol/B3: 2.38158
  Sterimol/B4: 8.88115  Sterimol/L: 11.9005 
 
 Surface and Volume Properties
  Accessible surface: 405.91  Positive charged surface: 303.801  Negative charged surface: 102.11  Volume: 197.125
  Hydrophobic surface: 228.626  Hydrophilic surface: 177.284
 
 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.