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PUBCHEM-ZINC06019601

 MMsINC code: MMs03494894
Type: Neutral
Formula: C10H14FNO3S
SMILES:   S(=O)(=O)(C)c1ccc(cc1)C(O)C(N)CF
InChI:   InChI=1/C10H14FNO3S/c1-16(14,15)8-4-2-7(3-5-8)10(13)9(12)6-11/h2-5,9-10,13H,6,12H2,1H3/t9-,10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.7597 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.29 g/mol  logS: -1.31164  SlogP: 0.5158  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.122033  Sterimol/B1: 2.23205  Sterimol/B2: 2.72678  Sterimol/B3: 4.55181
  Sterimol/B4: 4.74283  Sterimol/L: 13.0854 
 
 Surface and Volume Properties
  Accessible surface: 424.233  Positive charged surface: 235.18  Negative charged surface: 189.054  Volume: 211
  Hydrophobic surface: 251.826  Hydrophilic surface: 172.407
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03494895
PUBCHEM-ZINC06019601