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IBS-ZINC02144749

 MMsINC code: MMs01794904
Type: Neutral
Formula: C6H5N5O3
SMILES:   O=C1NC2=C(NC1=O)N=C(NC2=O)N
InChI:   InChI=1/C6H5N5O3/c7-6-10-2-1(3(12)11-6)8-4(13)5(14)9-2/h(H,8,13)(H4,7,9,10,11,12,14)

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Potential Energy
Epot(MMFF94)=4.23816 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.138 g/mol  logS: -1.5281  SlogP: -3.154  Reactive groups: 0
 
 Topological Properties
  Globularity: 4.13643e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09753  Sterimol/B3: 3.81969
  Sterimol/B4: 4.51333  Sterimol/L: 11.0768 
 
 Surface and Volume Properties
  Accessible surface: 328.836  Positive charged surface: 200.315  Negative charged surface: 128.522  Volume: 147.25
  Hydrophobic surface: 7.54553  Hydrophilic surface: 321.29047
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.