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ENAMINE-ZINC02632546

 MMsINC code: MMs01263282
Type: Neutral
Formula: C19H19Cl2N3O6S
SMILES:   Clc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)NNC(=O)COc1ccc(Cl)cc1
InChI:   InChI=1/C19H19Cl2N3O6S/c20-14-2-4-15(5-3-14)30-12-18(25)22-23-19(26)13-1-6-16(21)17(11-13)31(27,28)24-7-9-29-10-8-24/h1-6,11H,7-10,12H2,(H,22,25)(H,23,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=119.299 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 488.348 g/mol  logS: -5.33384  SlogP: 1.8543  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0193979  Sterimol/B1: 2.52146  Sterimol/B2: 4.08031  Sterimol/B3: 4.80897
  Sterimol/B4: 5.43776  Sterimol/L: 23.9749 
 
 Surface and Volume Properties
  Accessible surface: 716.69  Positive charged surface: 370.927  Negative charged surface: 345.763  Volume: 393.25
  Hydrophobic surface: 538.974  Hydrophilic surface: 177.716
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.