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APOLLO-ZINC02560145

 MMsINC code: MMs00053774
Type: Neutral
Formula: C8H7F2NO2
SMILES:   Fc1c(cccc1F)C(N)C(O)=O
InChI:   InChI=1/C8H7F2NO2/c9-5-3-1-2-4(6(5)10)7(11)8(12)13/h1-3,7H,11H2,(H,12,13)/t7-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.2466 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.145 g/mol  logS: -1.6356  SlogP: 1.1447  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141661  Sterimol/B1: 2.38742  Sterimol/B2: 2.68214  Sterimol/B3: 3.37276
  Sterimol/B4: 4.92929  Sterimol/L: 9.76433 
 
 Surface and Volume Properties
  Accessible surface: 343.053  Positive charged surface: 173.291  Negative charged surface: 169.762  Volume: 149.25
  Hydrophobic surface: 204.622  Hydrophilic surface: 138.431
 
 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


MMs00053775
APOLLO-ZINC02560145