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ENAMINE-ZINC03245919

 MMsINC code: MMs01327618
Type: Neutral
Formula: C19H21ClN2O4S
SMILES:   Clc1ccc(S(=O)(=O)N2CCCC2C(=O)NCc2ccccc2OC)cc1
InChI:   InChI=1/C19H21ClN2O4S/c1-26-18-7-3-2-5-14(18)13-21-19(23)17-6-4-12-22(17)27(24,25)16-10-8-15(20)9-11-16/h2-3,5,7-11,17H,4,6,12-13H2,1H3,(H,21,23)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.366 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.906 g/mol  logS: -4.57596  SlogP: 3.0845  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0726602  Sterimol/B1: 2.34322  Sterimol/B2: 3.64629  Sterimol/B3: 4.19123
  Sterimol/B4: 8.61698  Sterimol/L: 17.388 
 
 Surface and Volume Properties
  Accessible surface: 666.985  Positive charged surface: 388.88  Negative charged surface: 278.105  Volume: 363.375
  Hydrophobic surface: 586.615  Hydrophilic surface: 80.37
 
 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.