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PUBCHEM-ZINC01230298

 MMsINC code: MMs02790662
Type: Neutral
Formula: C19H15Cl2NO4S2
SMILES:   Clc1cc(S(=O)(=O)c2cc(S(=O)(=O)Nc3ccccc3C)ccc2)ccc1Cl
InChI:   InChI=1/C19H15Cl2NO4S2/c1-13-5-2-3-8-19(13)22-28(25,26)16-7-4-6-14(11-16)27(23,24)15-9-10-17(20)18(21)12-15/h2-12,22H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.2348 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 456.37 g/mol  logS: -6.64032  SlogP: 4.93542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143219  Sterimol/B1: 4.03762  Sterimol/B2: 4.74013  Sterimol/B3: 5.33707
  Sterimol/B4: 5.81041  Sterimol/L: 16.8966 
 
 Surface and Volume Properties
  Accessible surface: 632.752  Positive charged surface: 241.703  Negative charged surface: 391.049  Volume: 368
  Hydrophobic surface: 510.901  Hydrophilic surface: 121.851
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.