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ENAMINE-ZINC03020287

 MMsINC code: MMs01289061
Type: Neutral
Formula: C16H23FN2O4S
SMILES:   S(=O)(=O)(N1CCOCC1)c1cc(C(=O)NCCC(C)C)c(F)cc1
InChI:   InChI=1/C16H23FN2O4S/c1-12(2)5-6-18-16(20)14-11-13(3-4-15(14)17)24(21,22)19-7-9-23-10-8-19/h3-4,11-12H,5-10H2,1-2H3,(H,18,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.8389 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.434 g/mol  logS: -3.59045  SlogP: 1.6225  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0537356  Sterimol/B1: 1.98638  Sterimol/B2: 4.73658  Sterimol/B3: 5.27595
  Sterimol/B4: 6.81058  Sterimol/L: 16.4923 
 
 Surface and Volume Properties
  Accessible surface: 604.265  Positive charged surface: 403.733  Negative charged surface: 200.532  Volume: 322.375
  Hydrophobic surface: 455.628  Hydrophilic surface: 148.637
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.