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PUBCHEM-ZINC06523338

 MMsINC code: MMs03781475
Type: Neutral
Formula: C19H20ClNO3S
SMILES:   Clc1ccc(NC(=O)c2sccc2C)cc1C(OC1CCCCC1)=O
InChI:   InChI=1/C19H20ClNO3S/c1-12-9-10-25-17(12)18(22)21-13-7-8-16(20)15(11-13)19(23)24-14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,21,22)

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Potential Energy
Epot(MMFF94)=74.0231 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.892 g/mol  logS: -5.90917  SlogP: 5.45172  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0565119  Sterimol/B1: 2.52644  Sterimol/B2: 2.54818  Sterimol/B3: 4.54588
  Sterimol/B4: 9.64604  Sterimol/L: 16.4857 
 
 Surface and Volume Properties
  Accessible surface: 631.178  Positive charged surface: 356.238  Negative charged surface: 274.94  Volume: 343
  Hydrophobic surface: 581.678  Hydrophilic surface: 49.5
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.