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ACROSORGANICS-ZINC01706166

 MMsINC code: MMs00011468
Type: Neutral
Formula: C7H4FNO4
SMILES:   Fc1ccc(cc1[N+](=O)[O-])C(O)=O
InChI:   InChI=1/C7H4FNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.0565 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.11 g/mol  logS: -2.43949  SlogP: 1.4321  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.55275e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09831  Sterimol/B3: 3.14243
  Sterimol/B4: 5.45787  Sterimol/L: 11.1231 
 
 Surface and Volume Properties
  Accessible surface: 324.058  Positive charged surface: 128.11  Negative charged surface: 195.948  Volume: 139.375
  Hydrophobic surface: 149.489  Hydrophilic surface: 174.569
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs00011469
ACROSORGANICS-ZINC01706166