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OAKWOOD-ZINC02506748

 MMsINC code: MMs02543809
Type: Neutral
Formula: C8H6FNS
SMILES:   S=C=Nc1cccc(F)c1C
InChI:   InChI=1/C8H6FNS/c1-6-7(9)3-2-4-8(6)10-5-11/h2-4H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.096 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 167.207 g/mol  logS: -3.02392  SlogP: 2.86842  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0263134  Sterimol/B1: 2.20325  Sterimol/B2: 2.33777  Sterimol/B3: 2.51212
  Sterimol/B4: 6.31327  Sterimol/L: 10.8901 
 
 Surface and Volume Properties
  Accessible surface: 339.756  Positive charged surface: 150.296  Negative charged surface: 189.461  Volume: 149.875
  Hydrophobic surface: 232.329  Hydrophilic surface: 107.427
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.