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ACROSORGANICS-ZINC02567715

 MMsINC code: MMs00014475
Type: Ionized
Formula: C5H5NO4-2
SMILES:   O=C([O-])C1NC(C1)C(=O)[O-]
InChI:   InChI=1/C5H7NO4/c7-4(8)2-1-3(6-2)5(9)10/h2-3,6H,1H2,(H,7,8)(H,9,10)/p-2/t2-,3-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.6608 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 143.098 g/mol  logS: -0.22067  SlogP: -3.7833  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168483  Sterimol/B1: 2.21706  Sterimol/B2: 2.63163  Sterimol/B3: 3.11085
  Sterimol/B4: 4.42912  Sterimol/L: 9.522 
 
 Surface and Volume Properties
  Accessible surface: 291.047  Positive charged surface: 60.5803  Negative charged surface: 150.279  Volume: 115.75
  Hydrophobic surface: 86.489  Hydrophilic surface: 204.558
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 4  Basic groups: 0
  Chiral centers: 2
 
 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:


MMs00014474
ACROSORGANICS-ZINC02567715