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PUBCHEM-ZINC05847966

 MMsINC code: MMs03414908
Type: Neutral
Formula: C6H6NO6P
SMILES:   P(Oc1ccccc1[N+](=O)[O-])(O)(O)=O
InChI:   InChI=1/C6H6NO6P/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12/h1-4H,(H2,10,11,12)

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Potential Energy
Epot(MMFF94)=-16.7334 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.089 g/mol  logS: -1.66789  SlogP: -0.0039  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0550511  Sterimol/B1: 2.90991  Sterimol/B2: 3.05538  Sterimol/B3: 3.51644
  Sterimol/B4: 5.77523  Sterimol/L: 10.8824 
 
 Surface and Volume Properties
  Accessible surface: 356.971  Positive charged surface: 142.566  Negative charged surface: 214.405  Volume: 156.75
  Hydrophobic surface: 150.523  Hydrophilic surface: 206.448
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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: no related molecules available.