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ENAMINE-ZINC05950585

 MMsINC code: MMs01648437
Type: Neutral
Formula: C18H14FNO4S
SMILES:   s1c2ncc(cc2c(C)c1C(OCC)=O)C(=O)c1cc(F)ccc1O
InChI:   InChI=1/C18H14FNO4S/c1-3-24-18(23)16-9(2)12-6-10(8-20-17(12)25-16)15(22)13-7-11(19)4-5-14(13)21/h4-8,21H,3H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.7202 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.377 g/mol  logS: -5.41984  SlogP: 3.85712  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0412654  Sterimol/B1: 2.17976  Sterimol/B2: 3.79484  Sterimol/B3: 4.10965
  Sterimol/B4: 5.98968  Sterimol/L: 19.15 
 
 Surface and Volume Properties
  Accessible surface: 598.097  Positive charged surface: 321.278  Negative charged surface: 270.596  Volume: 311.5
  Hydrophobic surface: 444.536  Hydrophilic surface: 153.561
 
 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.