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ALFAAESAR-ZINC01595320

 MMsINC code: MMs00021436
Type: Ionized
Formula: C6H3FNO2-
SMILES:   Fc1cnccc1C(=O)[O-]
InChI:   InChI=1/C6H4FNO2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,(H,9,10)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.6582 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 140.093 g/mol  logS: -0.65157  SlogP: -0.4158  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000402012  Sterimol/B1: 2.09773  Sterimol/B2: 2.11321  Sterimol/B3: 2.44946
  Sterimol/B4: 5.0818  Sterimol/L: 8.655 
 
 Surface and Volume Properties
  Accessible surface: 278.036  Positive charged surface: 143.737  Negative charged surface: 134.299  Volume: 113.125
  Hydrophobic surface: 170.365  Hydrophilic surface: 107.671
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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:


MMs00021435
ALFAAESAR-ZINC01595320