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ENAMINE-ZINC03412955

 MMsINC code: MMs01427013
Type: Neutral
Formula: C16H18ClNO4S2
SMILES:   Clc1ccc(S(=O)(=O)N(S(=O)(=O)c2ccc(cc2)C)CCC)cc1
InChI:   InChI=1/C16H18ClNO4S2/c1-3-12-18(23(19,20)15-8-4-13(2)5-9-15)24(21,22)16-10-6-14(17)7-11-16/h4-11H,3,12H2,1-2H3

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Potential Energy
Epot(MMFF94)=9.04762 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.908 g/mol  logS: -4.90101  SlogP: 3.43802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0697886  Sterimol/B1: 2.07027  Sterimol/B2: 3.84062  Sterimol/B3: 4.32225
  Sterimol/B4: 8.90738  Sterimol/L: 16.8031 
 
 Surface and Volume Properties
  Accessible surface: 581.661  Positive charged surface: 273.893  Negative charged surface: 307.768  Volume: 328.125
  Hydrophobic surface: 478.967  Hydrophilic surface: 102.694
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.