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ACROSORGANICS-ZINC01529638

 MMsINC code: MMs00008880
Type: Neutral
Formula: C6H6NO6P
SMILES:   P(Oc1ccc([N+](=O)[O-])cc1)(O)(O)=O
InChI:   InChI=1/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)

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Potential Energy
Epot(MMFF94)=-18.667 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: 0.0457159  Sterimol/B1: 2.44972  Sterimol/B2: 2.59767  Sterimol/B3: 3.18404
  Sterimol/B4: 4.93012  Sterimol/L: 12.3471 
 
 Surface and Volume Properties
  Accessible surface: 366.926  Positive charged surface: 145.111  Negative charged surface: 221.815  Volume: 160
  Hydrophobic surface: 138.039  Hydrophilic surface: 228.887
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.