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CHEMBLOCK-ZINC05661011

 MMsINC code: MMs00581092
Type: Neutral
Formula: C16H17Cl2NO5S
SMILES:   Clc1cc(OC)c(S(=O)(=O)NCCOc2ccc(Cl)cc2)cc1OC
InChI:   InChI=1/C16H17Cl2NO5S/c1-22-14-10-16(15(23-2)9-13(14)18)25(20,21)19-7-8-24-12-5-3-11(17)4-6-12/h3-6,9-10,19H,7-8H2,1-2H3

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Potential Energy
Epot(MMFF94)=68.7915 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.286 g/mol  logS: -4.63692  SlogP: 3.3679  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100863  Sterimol/B1: 2.21561  Sterimol/B2: 4.61757  Sterimol/B3: 4.87963
  Sterimol/B4: 8.52168  Sterimol/L: 17.5521 
 
 Surface and Volume Properties
  Accessible surface: 635.975  Positive charged surface: 339.001  Negative charged surface: 296.974  Volume: 335.25
  Hydrophobic surface: 543.302  Hydrophilic surface: 92.673
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.