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ENAMINE-ZINC03282834

 MMsINC code: MMs01348994
Type: Neutral
Formula: C9H10FNO2S
SMILES:   S(=O)(=O)(NCC=C)c1ccccc1F
InChI:   InChI=1/C9H10FNO2S/c1-2-7-11-14(12,13)9-6-4-3-5-8(9)10/h2-6,11H,1,7H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-6.77248 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.248 g/mol  logS: -2.01407  SlogP: 1.29  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111484  Sterimol/B1: 2.097  Sterimol/B2: 2.8085  Sterimol/B3: 4.61077
  Sterimol/B4: 6.01096  Sterimol/L: 11.9277 
 
 Surface and Volume Properties
  Accessible surface: 395.084  Positive charged surface: 187.486  Negative charged surface: 207.598  Volume: 184.875
  Hydrophobic surface: 252.349  Hydrophilic surface: 142.735
 
 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.