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PUBCHEM-ZINC00339570

 MMsINC code: MMs02658884
Type: Neutral
Formula: C9H10N4O3
SMILES:   O(C)c1nc(OC)nc2NC(=O)C(=Nc12)C
InChI:   InChI=1/C9H10N4O3/c1-4-7(14)11-6-5(10-4)8(15-2)13-9(12-6)16-3/h1-3H3,(H,11,12,13,14)

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Potential Energy
Epot(MMFF94)=41.6404 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.204 g/mol  logS: -2.42669  SlogP: 0.5383  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0204252  Sterimol/B1: 2.37616  Sterimol/B2: 2.51211  Sterimol/B3: 4.35648
  Sterimol/B4: 5.21808  Sterimol/L: 12.8716 
 
 Surface and Volume Properties
  Accessible surface: 417.582  Positive charged surface: 317.381  Negative charged surface: 100.2  Volume: 193.875
  Hydrophobic surface: 253.505  Hydrophilic surface: 164.077
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.