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NCID-ZINC01870298

 MMsINC code: MMs02376066
Type: Neutral
Formula: C7H6NO7P
SMILES:   P(O)(O)(=O)c1cc([N+](=O)[O-])c(cc1)C(O)=O
InChI:   InChI=1/C7H6NO7P/c9-7(10)5-2-1-4(16(13,14)15)3-6(5)8(11)12/h1-3H,(H,9,10)(H2,13,14,15)

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Potential Energy
Epot(MMFF94)=0.931301 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.099 g/mol  logS: -1.50451  SlogP: -0.9742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0507366  Sterimol/B1: 2.63233  Sterimol/B2: 3.12439  Sterimol/B3: 3.36972
  Sterimol/B4: 6.17317  Sterimol/L: 11.8088 
 
 Surface and Volume Properties
  Accessible surface: 395.45  Positive charged surface: 166.079  Negative charged surface: 229.371  Volume: 175.75
  Hydrophobic surface: 100.612  Hydrophilic surface: 294.838
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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


MMs02376067
NCID-ZINC01870298