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ENAMINE-ZINC03166602

 MMsINC code: MMs01292835
Type: Neutral
Formula: C19H20Cl2N2O4S
SMILES:   Clc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)N2CC(OC(C2)C)C)cc1
InChI:   InChI=1/C19H20Cl2N2O4S/c1-12-10-23(11-13(2)27-12)28(25,26)16-6-3-14(4-7-16)19(24)22-18-9-15(20)5-8-17(18)21/h3-9,12-13H,10-11H2,1-2H3,(H,22,24)/t12-,13-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.7718 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 443.351 g/mol  logS: -5.68291  SlogP: 4.0436  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0886752  Sterimol/B1: 2.05006  Sterimol/B2: 4.05022  Sterimol/B3: 5.03203
  Sterimol/B4: 7.68905  Sterimol/L: 16.9262 
 
 Surface and Volume Properties
  Accessible surface: 647.354  Positive charged surface: 316.131  Negative charged surface: 331.223  Volume: 375.125
  Hydrophobic surface: 509.013  Hydrophilic surface: 138.341
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.