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ASINEX-ZINC00041894

 MMsINC code: MMs00062895
Type: Neutral
Formula: C15H15ClO3S
SMILES:   Clc1ccc(S(=O)(=O)c2ccc(OC(C)C)cc2)cc1
InChI:   InChI=1/C15H15ClO3S/c1-11(2)19-13-5-9-15(10-6-13)20(17,18)14-7-3-12(16)4-8-14/h3-11H,1-2H3

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Potential Energy
Epot(MMFF94)=67.8118 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.801 g/mol  logS: -4.78852  SlogP: 3.96  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119132  Sterimol/B1: 3.47859  Sterimol/B2: 4.55521  Sterimol/B3: 4.6154
  Sterimol/B4: 4.69892  Sterimol/L: 15.2711 
 
 Surface and Volume Properties
  Accessible surface: 525.402  Positive charged surface: 245.16  Negative charged surface: 280.242  Volume: 275.75
  Hydrophobic surface: 421.627  Hydrophilic surface: 103.775
 
 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.