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ENAMINE-ZINC06497391

 MMsINC code: MMs01663999
Type: Neutral
Formula: C18H17FN2O3S2
SMILES:   s1cccc1C1NC(=O)NC(CSc2ccc(F)cc2)=C1C(OCC)=O
InChI:   InChI=1/C18H17FN2O3S2/c1-2-24-17(22)15-13(10-26-12-7-5-11(19)6-8-12)20-18(23)21-16(15)14-4-3-9-25-14/h3-9,16H,2,10H2,1H3,(H2,20,21,23)/t16-/m1/s1

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Potential Energy
Epot(MMFF94)=28.7166 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.475 g/mol  logS: -5.7548  SlogP: 3.9461  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0822479  Sterimol/B1: 2.46428  Sterimol/B2: 3.45953  Sterimol/B3: 4.25042
  Sterimol/B4: 10.1704  Sterimol/L: 16.2557 
 
 Surface and Volume Properties
  Accessible surface: 612.841  Positive charged surface: 313.753  Negative charged surface: 299.088  Volume: 340.25
  Hydrophobic surface: 442.746  Hydrophilic surface: 170.095
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.