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APOLLO-ZINC02574884

 MMsINC code: MMs00054922
Type: Neutral
Formula: C8H4FNO2
SMILES:   Fc1c2NC(=O)C(=O)c2ccc1
InChI:   InChI=1/C8H4FNO2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11/h1-3H,(H,10,11,12)

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Potential Energy
Epot(MMFF94)=46.1595 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 165.123 g/mol  logS: -2.3357  SlogP: 0.9605  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.57307e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09853  Sterimol/B3: 3.33416
  Sterimol/B4: 4.92702  Sterimol/L: 9.98771 
 
 Surface and Volume Properties
  Accessible surface: 313.05  Positive charged surface: 146.296  Negative charged surface: 166.755  Volume: 134.75
  Hydrophobic surface: 180.038  Hydrophilic surface: 133.012
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.