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NCID-ZINC01655442

 MMsINC code: MMs02294028
Type: Ionized
Formula: C5H3N2O4-
SMILES:   O=C/1NC(=O)N\C\1=C/C(=O)[O-]
InChI:   InChI=1/C5H4N2O4/c8-3(9)1-2-4(10)7-5(11)6-2/h1H,(H,8,9)(H2,6,7,10,11)/p-1/b2-1-

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Potential Energy
Epot(MMFF94)=-25.2059 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.089 g/mol  logS: -0.96814  SlogP: -2.5404  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.43765e-08  Sterimol/B1: 2.097  Sterimol/B2: 2.09706  Sterimol/B3: 3.45035
  Sterimol/B4: 4.44041  Sterimol/L: 9.89682 
 
 Surface and Volume Properties
  Accessible surface: 292.236  Positive charged surface: 132.456  Negative charged surface: 159.779  Volume: 116.5
  Hydrophobic surface: 24.8816  Hydrophilic surface: 267.3544
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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:


MMs02294027
NCID-ZINC01655442