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CHEMBLOCK-ZINC03628996

 MMsINC code: MMs00539226
Type: Neutral
Formula: C18H20ClNO4S
SMILES:   Clc1ccc(S(=O)(=O)NC(CC(OCC)=O)c2ccc(cc2)C)cc1
InChI:   InChI=1/C18H20ClNO4S/c1-3-24-18(21)12-17(14-6-4-13(2)5-7-14)20-25(22,23)16-10-8-15(19)9-11-16/h4-11,17,20H,3,12H2,1-2H3/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=28.8026 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.88 g/mol  logS: -4.81627  SlogP: 3.71672  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.125846  Sterimol/B1: 2.12208  Sterimol/B2: 3.61725  Sterimol/B3: 5.08272
  Sterimol/B4: 9.12255  Sterimol/L: 15.6159 
 
 Surface and Volume Properties
  Accessible surface: 612.491  Positive charged surface: 333.261  Negative charged surface: 279.229  Volume: 342
  Hydrophobic surface: 504.296  Hydrophilic surface: 108.195
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.