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ENAMINE-ZINC01862599

 MMsINC code: MMs01245108
Type: Neutral
Formula: C15H16Cl2N2O4S2
SMILES:   Clc1ccc(S(=O)(=O)NCCCNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChI:   InChI=1/C15H16Cl2N2O4S2/c16-12-2-6-14(7-3-12)24(20,21)18-10-1-11-19-25(22,23)15-8-4-13(17)5-9-15/h2-9,18-19H,1,10-11H2

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Potential Energy
Epot(MMFF94)=3.19057 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 423.341 g/mol  logS: -4.52553  SlogP: 2.6403  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0821608  Sterimol/B1: 3.66008  Sterimol/B2: 4.47659  Sterimol/B3: 4.71561
  Sterimol/B4: 5.42641  Sterimol/L: 16.9213 
 
 Surface and Volume Properties
  Accessible surface: 640.697  Positive charged surface: 260.794  Negative charged surface: 379.903  Volume: 334.625
  Hydrophobic surface: 474.964  Hydrophilic surface: 165.733
 
 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: no related molecules available.