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PUBCHEM-ZINC05603158

 MMsINC code: MMs03321430
Type: Neutral
Formula: C18H20Cl2N2O2S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)NC1CCN(CC1)Cc1ccccc1
InChI:   InChI=1/C18H20Cl2N2O2S/c19-15-6-7-17(20)18(12-15)25(23,24)21-16-8-10-22(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16,21H,8-11,13H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.2656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.342 g/mol  logS: -4.90961  SlogP: 4.2027  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119854  Sterimol/B1: 3.16684  Sterimol/B2: 4.16947  Sterimol/B3: 5.82718
  Sterimol/B4: 6.81915  Sterimol/L: 15.1502 
 
 Surface and Volume Properties
  Accessible surface: 612.08  Positive charged surface: 308.464  Negative charged surface: 303.616  Volume: 348.625
  Hydrophobic surface: 534.328  Hydrophilic surface: 77.752
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs03321431
PUBCHEM-ZINC05603158