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OAKWOOD-ZINC04290656

 MMsINC code: MMs02551231
Type: Neutral
Formula: C11H9FS
SMILES:   S(C)c1c2c(cccc2)c(F)cc1
InChI:   InChI=1/C11H9FS/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.5284 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.257 g/mol  logS: -4.57914  SlogP: 3.7008  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0110453  Sterimol/B1: 2.37269  Sterimol/B2: 2.37769  Sterimol/B3: 3.34782
  Sterimol/B4: 5.5381  Sterimol/L: 11.6707 
 
 Surface and Volume Properties
  Accessible surface: 366.763  Positive charged surface: 170.446  Negative charged surface: 184.946  Volume: 179.375
  Hydrophobic surface: 332.693  Hydrophilic surface: 34.07
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.