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NCID-ZINC01595327

 MMsINC code: MMs02249657
Type: Neutral
Formula: C7H5F2NO
SMILES:   Fc1cc(NC=O)ccc1F
InChI:   InChI=1/C7H5F2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-4H,(H,10,11)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.4309 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.119 g/mol  logS: -2.07321  SlogP: 1.5331  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0241639  Sterimol/B1: 2.097  Sterimol/B2: 2.82933  Sterimol/B3: 2.84781
  Sterimol/B4: 4.84548  Sterimol/L: 10.3119 
 
 Surface and Volume Properties
  Accessible surface: 308.71  Positive charged surface: 162.982  Negative charged surface: 145.728  Volume: 127.875
  Hydrophobic surface: 226.265  Hydrophilic surface: 82.445
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.