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ENAMINE-ZINC03427389

 MMsINC code: MMs01435390
Type: Neutral
Formula: C16H19NO4S2
SMILES:   S(=O)(=O)(C)c1ccc(NS(=O)(=O)c2ccc(cc2)CCC)cc1
InChI:   InChI=1/C16H19NO4S2/c1-3-4-13-5-9-16(10-6-13)23(20,21)17-14-7-11-15(12-8-14)22(2,18)19/h5-12,17H,3-4H2,1-2H3

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Potential Energy
Epot(MMFF94)=43.8153 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.463 g/mol  logS: -4.69177  SlogP: 2.84337  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.074681  Sterimol/B1: 3.18743  Sterimol/B2: 3.43522  Sterimol/B3: 3.6469
  Sterimol/B4: 8.02812  Sterimol/L: 16.8385 
 
 Surface and Volume Properties
  Accessible surface: 589.518  Positive charged surface: 320.343  Negative charged surface: 269.175  Volume: 312.375
  Hydrophobic surface: 415.317  Hydrophilic surface: 174.201
 
 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.