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ENAMINE-ZINC03434443

 MMsINC code: MMs01439673
Type: Neutral
Formula: C17H24ClN3O3S
SMILES:   Clc1ccc(S(=O)(=O)N2CCN(CC2)C(=O)NC2CCCCC2)cc1
InChI:   InChI=1/C17H24ClN3O3S/c18-14-6-8-16(9-7-14)25(23,24)21-12-10-20(11-13-21)17(22)19-15-4-2-1-3-5-15/h6-9,15H,1-5,10-13H2,(H,19,22)

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Potential Energy
Epot(MMFF94)=30.7462 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.916 g/mol  logS: -3.56051  SlogP: 2.6886  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0593065  Sterimol/B1: 3.26505  Sterimol/B2: 3.59371  Sterimol/B3: 4.68507
  Sterimol/B4: 5.70177  Sterimol/L: 19.1208 
 
 Surface and Volume Properties
  Accessible surface: 622.459  Positive charged surface: 388.182  Negative charged surface: 234.277  Volume: 347.625
  Hydrophobic surface: 535.399  Hydrophilic surface: 87.06
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.