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ENAMINE-ZINC03481379

 MMsINC code: MMs01466239
Type: Neutral
Formula: C19H18ClFN2O5S
SMILES:   Clc1ccc(S(=O)(=O)N2CCCC2C(OCC(=O)Nc2ccccc2F)=O)cc1
InChI:   InChI=1/C19H18ClFN2O5S/c20-13-7-9-14(10-8-13)29(26,27)23-11-3-6-17(23)19(25)28-12-18(24)22-16-5-2-1-4-15(16)21/h1-2,4-5,7-10,17H,3,6,11-12H2,(H,22,24)/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=102.96 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 440.879 g/mol  logS: -5.28469  SlogP: 2.8141  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0429444  Sterimol/B1: 3.22446  Sterimol/B2: 4.44156  Sterimol/B3: 4.86228
  Sterimol/B4: 8.49119  Sterimol/L: 17.3503 
 
 Surface and Volume Properties
  Accessible surface: 656.035  Positive charged surface: 341.992  Negative charged surface: 314.043  Volume: 363.625
  Hydrophobic surface: 544.718  Hydrophilic surface: 111.317
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.