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SIAL-ZINC04530562

 MMsINC code: MMs03917591
Type: Ionized
Formula: C5H7N2O4-
SMILES:   O=C([O-])CNC(=O)\C(=N\O)\C
InChI:   InChI=1/C5H8N2O4/c1-3(7-11)5(10)6-2-4(8)9/h11H,2H2,1H3,(H,6,10)(H,8,9)/p-1/b7-3-

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Potential Energy
Epot(MMFF94)=38.4495 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 159.121 g/mol  logS: -0.17333  SlogP: -2.2974  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153187  Sterimol/B1: 2.09058  Sterimol/B2: 3.20753  Sterimol/B3: 4.05845
  Sterimol/B4: 5.52517  Sterimol/L: 10.9737 
 
 Surface and Volume Properties
  Accessible surface: 341.125  Positive charged surface: 178.758  Negative charged surface: 162.366  Volume: 134
  Hydrophobic surface: 125.922  Hydrophilic surface: 215.203
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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:


MMs03917590
SIAL-ZINC04530562