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ASINEX-ZINC00780391

 MMsINC code: MMs00160265
Type: Neutral
Formula: C18H18FNO4S
SMILES:   s1cc(-c2ccc(F)cc2)c(C(OCC)=O)c1NC(=O)C1OCCC1
InChI:   InChI=1/C18H18FNO4S/c1-2-23-18(22)15-13(11-5-7-12(19)8-6-11)10-25-17(15)20-16(21)14-4-3-9-24-14/h5-8,10,14H,2-4,9H2,1H3,(H,20,21)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=87.5331 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.409 g/mol  logS: -5.6773  SlogP: 3.8484  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0637657  Sterimol/B1: 2.49786  Sterimol/B2: 2.62101  Sterimol/B3: 4.51603
  Sterimol/B4: 9.11851  Sterimol/L: 17.4342 
 
 Surface and Volume Properties
  Accessible surface: 615.38  Positive charged surface: 366.101  Negative charged surface: 249.279  Volume: 323.375
  Hydrophobic surface: 520.987  Hydrophilic surface: 94.393
 
 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.