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APOLLO-ZINC00153902

 MMsINC code: MMs00044130
Type: Neutral
Formula: C7H8FNO2S
SMILES:   S(=O)(=O)(C)c1cc(N)c(F)cc1
InChI:   InChI=1/C7H8FNO2S/c1-12(10,11)5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.8903 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 189.21 g/mol  logS: -1.54143  SlogP: 0.8114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102803  Sterimol/B1: 2.07134  Sterimol/B2: 3.30815  Sterimol/B3: 4.13769
  Sterimol/B4: 4.78761  Sterimol/L: 10.4335 
 
 Surface and Volume Properties
  Accessible surface: 342.028  Positive charged surface: 174.734  Negative charged surface: 167.294  Volume: 154.125
  Hydrophobic surface: 215.678  Hydrophilic surface: 126.35
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.