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ENAMINE-ZINC03319759

 MMsINC code: MMs01369495
Type: Neutral
Formula: C20H17Cl2NO2S
SMILES:   Clc1c(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cccc1Cl
InChI:   InChI=1/C20H17Cl2NO2S/c21-18-12-7-13-19(20(18)22)26(24,25)23(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-13H,14-15H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.7243 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.333 g/mol  logS: -6.30282  SlogP: 5.9173  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153914  Sterimol/B1: 2.25488  Sterimol/B2: 3.15886  Sterimol/B3: 5.13901
  Sterimol/B4: 9.44944  Sterimol/L: 13.9234 
 
 Surface and Volume Properties
  Accessible surface: 573.113  Positive charged surface: 268.689  Negative charged surface: 304.424  Volume: 353.375
  Hydrophobic surface: 516.61  Hydrophilic surface: 56.503
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.