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ACROSORGANICS-ZINC01861052

 MMsINC code: MMs00012159
Type: Neutral
Formula: C5H5N3O4
SMILES:   O=C1NC(=O)NC(C(O)=O)=C1N
InChI:   InChI=1/C5H5N3O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h6H2,(H,10,11)(H2,7,8,9,12)

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Potential Energy
Epot(MMFF94)=6.96056 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.112 g/mol  logS: -0.4646  SlogP: -1.9193  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000739822  Sterimol/B1: 2.097  Sterimol/B2: 2.11114  Sterimol/B3: 3.34855
  Sterimol/B4: 5.20139  Sterimol/L: 9.46245 
 
 Surface and Volume Properties
  Accessible surface: 309.279  Positive charged surface: 186.233  Negative charged surface: 123.046  Volume: 127.5
  Hydrophobic surface: 17.6631  Hydrophilic surface: 291.6159
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs00012160
ACROSORGANICS-ZINC01861052