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PUBCHEM-ZINC06861725

 MMsINC code: MMs03880570
Type: Neutral
Formula: C8H7ClFNO2
SMILES:   Clc1cccc(C(N)C(O)=O)c1F
InChI:   InChI=1/C8H7ClFNO2/c9-5-3-1-2-4(6(5)10)7(11)8(12)13/h1-3,7H,11H2,(H,12,13)/t7-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.9648 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.6 g/mol  logS: -2.07491  SlogP: 1.659  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153268  Sterimol/B1: 2.41901  Sterimol/B2: 2.63851  Sterimol/B3: 3.48202
  Sterimol/B4: 5.78346  Sterimol/L: 9.77068 
 
 Surface and Volume Properties
  Accessible surface: 357.031  Positive charged surface: 161.363  Negative charged surface: 195.668  Volume: 164.5
  Hydrophobic surface: 218.768  Hydrophilic surface: 138.263
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03880571
PUBCHEM-ZINC06861725