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IBS-ZINC02308583

 MMsINC code: MMs01828938
Type: Neutral
Formula: C8H3F2NO2
SMILES:   Fc1cc2c(NC(=O)C2=O)cc1F
InChI:   InChI=1/C8H3F2NO2/c9-4-1-3-6(2-5(4)10)11-8(13)7(3)12/h1-2H,(H,11,12,13)

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Potential Energy
Epot(MMFF94)=43.1227 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.113 g/mol  logS: -2.63068  SlogP: 1.0996  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.02554e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.0982  Sterimol/B3: 2.6551
  Sterimol/B4: 5.34994  Sterimol/L: 10.2478 
 
 Surface and Volume Properties
  Accessible surface: 318.261  Positive charged surface: 135.876  Negative charged surface: 182.386  Volume: 137.5
  Hydrophobic surface: 183.224  Hydrophilic surface: 135.037
 
 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.