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ENAMINE-ZINC03550288

 MMsINC code: MMs01503153
Type: Neutral
Formula: C18H18ClNO4S
SMILES:   Clc1ccc(OC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2)cc1
InChI:   InChI=1/C18H18ClNO4S/c19-15-7-9-16(10-8-15)24-18(21)14-5-4-6-17(13-14)25(22,23)20-11-2-1-3-12-20/h4-10,13H,1-3,11-12H2

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Potential Energy
Epot(MMFF94)=60.1208 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.864 g/mol  logS: -4.90094  SlogP: 3.7338  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.063815  Sterimol/B1: 2.40995  Sterimol/B2: 3.10589  Sterimol/B3: 4.9458
  Sterimol/B4: 7.96911  Sterimol/L: 18.2169 
 
 Surface and Volume Properties
  Accessible surface: 614.287  Positive charged surface: 322.914  Negative charged surface: 291.372  Volume: 330.875
  Hydrophobic surface: 529.936  Hydrophilic surface: 84.351
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.