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PUBCHEM-ZINC04853909

 MMsINC code: MMs03178747
Type: Neutral
Formula: C14H18Cl2N2O4S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)N1CCOCC1)CC
InChI:   InChI=1/C14H18Cl2N2O4S/c1-2-18(10-14(19)17-5-7-22-8-6-17)23(20,21)13-9-11(15)3-4-12(13)16/h3-4,9H,2,5-8,10H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.8792 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.28 g/mol  logS: -3.45229  SlogP: 1.8628  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147222  Sterimol/B1: 1.99893  Sterimol/B2: 2.96837  Sterimol/B3: 5.00647
  Sterimol/B4: 9.36164  Sterimol/L: 14.3597 
 
 Surface and Volume Properties
  Accessible surface: 539.405  Positive charged surface: 319.286  Negative charged surface: 220.119  Volume: 311.375
  Hydrophobic surface: 437.613  Hydrophilic surface: 101.792
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 1
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Ions/Tautomers related molecules: no related molecules available.