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CHEMDIV-ZINC02397107

 MMsINC code: MMs00875039
Type: Neutral
Formula: C16H16ClNO4S2
SMILES:   Clc1ccc(SCCNS(=O)(=O)c2cc3OCCOc3cc2)cc1
InChI:   InChI=1/C16H16ClNO4S2/c17-12-1-3-13(4-2-12)23-10-7-18-24(19,20)14-5-6-15-16(11-14)22-9-8-21-15/h1-6,11,18H,7-10H2

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Potential Energy
Epot(MMFF94)=50.4133 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.892 g/mol  logS: -5.02249  SlogP: 3.1818  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0462179  Sterimol/B1: 2.75278  Sterimol/B2: 3.95274  Sterimol/B3: 4.08214
  Sterimol/B4: 7.71958  Sterimol/L: 19.0656 
 
 Surface and Volume Properties
  Accessible surface: 612.612  Positive charged surface: 321.67  Negative charged surface: 290.942  Volume: 320.875
  Hydrophobic surface: 475.079  Hydrophilic surface: 137.533
 
 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.