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CHEMBLOCK-ZINC00990800

MMsINC code: MMs00510118

Type: Neutral
Formula: C18H17Cl2NO4S
SMILES:   Clc1ccc(S(=O)(=O)N2CCCCC2)cc1C(Oc1ccc(Cl)cc1)=O
InChI:   InChI=1/C18H17Cl2NO4S/c19-13-4-6-14(7-5-13)25-18(22)16-12-15(8-9-17(16)20)26(23,24)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2

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Potential Energy
Epot(MMFF94)=68.1284 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.309 g/mol  logS: -5.63523  SlogP: 4.3872  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0712932  Sterimol/B1: 2.69571  Sterimol/B2: 4.05639  Sterimol/B3: 5.26918
  Sterimol/B4: 6.98025  Sterimol/L: 17.8988 
 
 Surface and Volume Properties
  Accessible surface: 632.059  Positive charged surface: 314.993  Negative charged surface: 317.066  Volume: 346.125
  Hydrophobic surface: 558.76  Hydrophilic surface: 73.299
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.