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ENAMINE-ZINC03552884

 MMsINC code: MMs01504614
Type: Neutral
Formula: C19H20Cl2N2O4S
SMILES:   Clc1cc(Cl)ccc1C(NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1)C
InChI:   InChI=1/C19H20Cl2N2O4S/c1-13(17-6-5-15(20)12-18(17)21)22-19(24)14-3-2-4-16(11-14)28(25,26)23-7-9-27-10-8-23/h2-6,11-13H,7-10H2,1H3,(H,22,24)/t13-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.2317 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 443.351 g/mol  logS: -5.29974  SlogP: 3.6008  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0392133  Sterimol/B1: 2.35868  Sterimol/B2: 2.67996  Sterimol/B3: 5.52929
  Sterimol/B4: 7.14927  Sterimol/L: 19.7512 
 
 Surface and Volume Properties
  Accessible surface: 668.827  Positive charged surface: 337.254  Negative charged surface: 331.573  Volume: 376
  Hydrophobic surface: 548.302  Hydrophilic surface: 120.525
 
 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.