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ACROSORGANICS-ZINC01861052

 MMsINC code: MMs00012160
Type: Ionized
Formula: C5H4N3O4-
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)/p-1

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Potential Energy
Epot(MMFF94)=0.0747302 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.104 g/mol  logS: -0.72505  SlogP: -3.254  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.78753e-08  Sterimol/B1: 2.097  Sterimol/B2: 2.09767  Sterimol/B3: 3.64517
  Sterimol/B4: 5.19752  Sterimol/L: 9.42026 
 
 Surface and Volume Properties
  Accessible surface: 300.459  Positive charged surface: 151.09  Negative charged surface: 149.369  Volume: 125.375
  Hydrophobic surface: 17.9733  Hydrophilic surface: 282.4857
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs00012159
ACROSORGANICS-ZINC01861052