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NCID-ZINC04809146

 MMsINC code: MMs02409245
Type: Neutral
Formula: C7H6FNO2
SMILES:   Fc1ccc(cc1)C(=O)NO
InChI:   InChI=1/C7H6FNO2/c8-6-3-1-5(2-4-6)7(10)9-11/h1-4,11H,(H,9,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.329 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.128 g/mol  logS: -1.73537  SlogP: 0.9447  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.44267e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09854  Sterimol/B3: 2.53247
  Sterimol/B4: 5.22477  Sterimol/L: 11.1375 
 
 Surface and Volume Properties
  Accessible surface: 313.1  Positive charged surface: 148.728  Negative charged surface: 164.372  Volume: 131.125
  Hydrophobic surface: 193.044  Hydrophilic surface: 120.056
 
 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: no related molecules available.