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MAYBRIDGE-ZINC01042343

 MMsINC code: MMs02154559
Type: Neutral
Formula: C17H19ClO5S
SMILES:   Clc1ccc(S(=O)(=O)CC(O)COCc2ccc(OC)cc2)cc1
InChI:   InChI=1/C17H19ClO5S/c1-22-16-6-2-13(3-7-16)10-23-11-15(19)12-24(20,21)17-8-4-14(18)5-9-17/h2-9,15,19H,10-12H2,1H3/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=78.2507 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.853 g/mol  logS: -4.01824  SlogP: 2.9664  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0344647  Sterimol/B1: 2.88291  Sterimol/B2: 3.353  Sterimol/B3: 4.42758
  Sterimol/B4: 4.89326  Sterimol/L: 21.9595 
 
 Surface and Volume Properties
  Accessible surface: 639.207  Positive charged surface: 354.984  Negative charged surface: 284.223  Volume: 327.25
  Hydrophobic surface: 528.533  Hydrophilic surface: 110.674
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.