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NCID-ZINC04878840

 MMsINC code: MMs02411709
Type: Neutral
Formula: C5H4N4O4
SMILES:   O=C1NC(=NC(C(O)=O)=C1N=O)N
InChI:   InChI=1/C5H4N4O4/c6-5-7-2(4(11)12)1(9-13)3(10)8-5/h(H,11,12)(H3,6,7,8,10)

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Potential Energy
Epot(MMFF94)=11.4212 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.111 g/mol  logS: -1.40142  SlogP: -1.5065  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0388903  Sterimol/B1: 2.70518  Sterimol/B2: 3.02482  Sterimol/B3: 3.47247
  Sterimol/B4: 4.81611  Sterimol/L: 9.80091 
 
 Surface and Volume Properties
  Accessible surface: 325.962  Positive charged surface: 162.113  Negative charged surface: 163.85  Volume: 132.375
  Hydrophobic surface: 56.9862  Hydrophilic surface: 268.9758
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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


MMs02411710
NCID-ZINC04878840