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MAYBRIDGE-ZINC01028636

 MMsINC code: MMs02149060
Type: Neutral
Formula: C15H15ClN2O5S
SMILES:   Clc1ccc(NC(=O)c2oc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChI:   InChI=1/C15H15ClN2O5S/c16-11-1-3-12(4-2-11)17-15(19)13-5-6-14(23-13)24(20,21)18-7-9-22-10-8-18/h1-6H,7-10H2,(H,17,19)

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Potential Energy
Epot(MMFF94)=75.7704 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.813 g/mol  logS: -4.35703  SlogP: 2.2062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0311919  Sterimol/B1: 3.3453  Sterimol/B2: 3.99895  Sterimol/B3: 4.25218
  Sterimol/B4: 5.46534  Sterimol/L: 18.5081 
 
 Surface and Volume Properties
  Accessible surface: 587.623  Positive charged surface: 330.54  Negative charged surface: 257.083  Volume: 305.625
  Hydrophobic surface: 467.331  Hydrophilic surface: 120.292
 
 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.