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ENAMINE-ZINC05797563

 MMsINC code: MMs01640059
Type: Neutral
Formula: C19H21ClN2O4S
SMILES:   Clc1ccccc1C(Oc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N)C
InChI:   InChI=1/C19H21ClN2O4S/c1-13(15-6-2-3-7-17(15)20)26-18-9-8-14(12-16(18)19(21)23)27(24,25)22-10-4-5-11-22/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H2,21,23)/t13-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.6671 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.906 g/mol  logS: -4.98272  SlogP: 3.4589  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0698939  Sterimol/B1: 2.42608  Sterimol/B2: 3.19198  Sterimol/B3: 5.86373
  Sterimol/B4: 7.70732  Sterimol/L: 17.9463 
 
 Surface and Volume Properties
  Accessible surface: 630.667  Positive charged surface: 360.233  Negative charged surface: 270.434  Volume: 359.75
  Hydrophobic surface: 462.32  Hydrophilic surface: 168.347
 
 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.