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NCID-ZINC00367493

 MMsINC code: MMs02214477
Type: Neutral
Formula: C10H11FS2
SMILES:   S1CCCSC1c1ccc(F)cc1
InChI:   InChI=1/C10H11FS2/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h2-5,10H,1,6-7H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.0497 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.328 g/mol  logS: -3.86852  SlogP: 3.7899  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0949058  Sterimol/B1: 2.50484  Sterimol/B2: 3.65634  Sterimol/B3: 3.67087
  Sterimol/B4: 5.12158  Sterimol/L: 12.6365 
 
 Surface and Volume Properties
  Accessible surface: 391.131  Positive charged surface: 220.945  Negative charged surface: 170.186  Volume: 194.125
  Hydrophobic surface: 327.665  Hydrophilic surface: 63.466
 
 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.