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IBS-ZINC06759385

 MMsINC code: MMs01969616
Type: Neutral
Formula: C15H19FN2O5S
SMILES:   S(=O)(=O)(N1CCC(CC1)C(=O)NC(C(O)=O)C)c1ccc(F)cc1
InChI:   InChI=1/C15H19FN2O5S/c1-10(15(20)21)17-14(19)11-6-8-18(9-7-11)24(22,23)13-4-2-12(16)3-5-13/h2-5,10-11H,6-9H2,1H3,(H,17,19)(H,20,21)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=32.4184 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.39 g/mol  logS: -2.3979  SlogP: 0.8157  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147853  Sterimol/B1: 2.97794  Sterimol/B2: 4.68084  Sterimol/B3: 5.10193
  Sterimol/B4: 5.64842  Sterimol/L: 14.0281 
 
 Surface and Volume Properties
  Accessible surface: 563.641  Positive charged surface: 327.761  Negative charged surface: 235.88  Volume: 304.75
  Hydrophobic surface: 364.04  Hydrophilic surface: 199.601
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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


MMs01969617
IBS-ZINC06759385