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ENAMINE-ZINC03360823

 MMsINC code: MMs01395785
Type: Neutral
Formula: C12H10Cl2N2O4S2
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(S(=O)(=O)N)cc1
InChI:   InChI=1/C12H10Cl2N2O4S2/c13-8-1-6-11(14)12(7-8)22(19,20)16-9-2-4-10(5-3-9)21(15,17)18/h1-7,16H,(H2,15,17,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.71321 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.26 g/mol  logS: -4.74191  SlogP: 2.4416  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.18563  Sterimol/B1: 2.66859  Sterimol/B2: 3.50595  Sterimol/B3: 5.35199
  Sterimol/B4: 6.62361  Sterimol/L: 13.2537 
 
 Surface and Volume Properties
  Accessible surface: 527.753  Positive charged surface: 196.008  Negative charged surface: 331.745  Volume: 281.75
  Hydrophobic surface: 322.347  Hydrophilic surface: 205.406
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs01395786
ENAMINE-ZINC03360823