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NCID-ZINC05496558

 MMsINC code: MMs02467932
Type: Neutral
Formula: C6F5NOS2
SMILES:   S(N=S=O)c1c(F)c(F)c(F)c(F)c1F
InChI:   InChI=1/C6F5NOS2/c7-1-2(8)4(10)6(14-12-15-13)5(11)3(1)9

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.8288 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.194 g/mol  logS: -4.9702  SlogP: 3.106  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0821654  Sterimol/B1: 3.09688  Sterimol/B2: 3.78727  Sterimol/B3: 3.87007
  Sterimol/B4: 3.87085  Sterimol/L: 11.6897 
 
 Surface and Volume Properties
  Accessible surface: 361.399  Positive charged surface: 148.748  Negative charged surface: 212.652  Volume: 156
  Hydrophobic surface: 253.139  Hydrophilic surface: 108.26
 
 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.