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ENAMINE-ZINC03448335

 MMsINC code: MMs01448794
Type: Neutral
Formula: C15H17ClN2O4S2
SMILES:   Clc1sc(S(=O)(=O)N(CC(=O)Nc2cc(OC)ccc2)CC)cc1
InChI:   InChI=1/C15H17ClN2O4S2/c1-3-18(24(20,21)15-8-7-13(16)23-15)10-14(19)17-11-5-4-6-12(9-11)22-2/h4-9H,3,10H2,1-2H3,(H,17,19)

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Potential Energy
Epot(MMFF94)=77.5982 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.896 g/mol  logS: -4.68302  SlogP: 3.0594  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0699319  Sterimol/B1: 2.56884  Sterimol/B2: 2.9116  Sterimol/B3: 5.01323
  Sterimol/B4: 6.73043  Sterimol/L: 19.9762 
 
 Surface and Volume Properties
  Accessible surface: 608.369  Positive charged surface: 316.796  Negative charged surface: 291.573  Volume: 326.5
  Hydrophobic surface: 487.316  Hydrophilic surface: 121.053
 
 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.