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ENAMINE-ZINC06873385

MMsINC code: MMs01707898

Type: Neutral
Formula: C13H16FNO3S
SMILES:   S1(=O)(=O)CC(NC(=O)Cc2ccccc2F)(CC1)C
InChI:   InChI=1/C13H16FNO3S/c1-13(6-7-19(17,18)9-13)15-12(16)8-10-4-2-3-5-11(10)14/h2-5H,6-9H2,1H3,(H,15,16)/t13-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=57.9496 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.339 g/mol  logS: -2.67645  SlogP: 1.06157  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104553  Sterimol/B1: 2.23416  Sterimol/B2: 2.44363  Sterimol/B3: 4.81768
  Sterimol/B4: 6.12385  Sterimol/L: 14.098 
 
 Surface and Volume Properties
  Accessible surface: 478.583  Positive charged surface: 265.224  Negative charged surface: 213.359  Volume: 249.125
  Hydrophobic surface: 368.206  Hydrophilic surface: 110.377
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.