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PUBCHEM-ZINC00986421

 MMsINC code: MMs02749943
Type: Neutral
Formula: C18H20Cl2N2O4S2
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC(CC2)C)cc1
InChI:   InChI=1/C18H20Cl2N2O4S2/c1-13-8-10-22(11-9-13)28(25,26)16-5-3-15(4-6-16)21-27(23,24)18-12-14(19)2-7-17(18)20/h2-7,12-13,21H,8-11H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.4192 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 463.406 g/mol  logS: -5.69823  SlogP: 4.2148  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0895639  Sterimol/B1: 4.05108  Sterimol/B2: 4.46527  Sterimol/B3: 4.5737
  Sterimol/B4: 5.82275  Sterimol/L: 17.3351 
 
 Surface and Volume Properties
  Accessible surface: 655.555  Positive charged surface: 318.004  Negative charged surface: 337.551  Volume: 376.125
  Hydrophobic surface: 507.357  Hydrophilic surface: 148.198
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.