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ENAMINE-ZINC06786932

 MMsINC code: MMs01696902
Type: Neutral
Formula: C19H22ClN3O3S
SMILES:   Clc1ccc(cc1S(=O)(=O)NCc1cccnc1)C(=O)N1CCCCC1C
InChI:   InChI=1/C19H22ClN3O3S/c1-14-5-2-3-10-23(14)19(24)16-7-8-17(20)18(11-16)27(25,26)22-13-15-6-4-9-21-12-15/h4,6-9,11-12,14,22H,2-3,5,10,13H2,1H3/t14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=127.614 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.922 g/mol  logS: -3.58841  SlogP: 3.4945  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0729401  Sterimol/B1: 2.36704  Sterimol/B2: 3.25464  Sterimol/B3: 5.91729
  Sterimol/B4: 6.23066  Sterimol/L: 18.2868 
 
 Surface and Volume Properties
  Accessible surface: 616.036  Positive charged surface: 379.786  Negative charged surface: 236.25  Volume: 356.25
  Hydrophobic surface: 481.97  Hydrophilic surface: 134.066
 
 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.