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NCID-ZINC01620315

 MMsINC code: MMs02268537
Type: Neutral
Formula: C10H10FNO3S
SMILES:   S(CCC(O)=O)C(=O)Nc1cc(F)ccc1
InChI:   InChI=1/C10H10FNO3S/c11-7-2-1-3-8(6-7)12-10(15)16-5-4-9(13)14/h1-3,6H,4-5H2,(H,12,15)(H,13,14)

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Potential Energy
Epot(MMFF94)=12.3679 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.258 g/mol  logS: -2.80755  SlogP: 2.5655  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0185341  Sterimol/B1: 2.47953  Sterimol/B2: 2.54817  Sterimol/B3: 2.83699
  Sterimol/B4: 5.27285  Sterimol/L: 15.6058 
 
 Surface and Volume Properties
  Accessible surface: 449.986  Positive charged surface: 237.221  Negative charged surface: 212.764  Volume: 206.125
  Hydrophobic surface: 269.386  Hydrophilic surface: 180.6
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs02268538
NCID-ZINC01620315