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ENAMINE-ZINC03184631

 MMsINC code: MMs01298975
Type: Neutral
Formula: C15H27N3O2S2
SMILES:   s1cccc1S(=O)(=O)NC(CN(C)C1CCN(CC1)C)(C)C
InChI:   InChI=1/C15H27N3O2S2/c1-15(2,16-22(19,20)14-6-5-11-21-14)12-18(4)13-7-9-17(3)10-8-13/h5-6,11,13,16H,7-10,12H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.3938 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.532 g/mol  logS: -2.19045  SlogP: 1.831  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.164085  Sterimol/B1: 2.07039  Sterimol/B2: 4.33918  Sterimol/B3: 5.17117
  Sterimol/B4: 8.26306  Sterimol/L: 15.1446 
 
 Surface and Volume Properties
  Accessible surface: 554.317  Positive charged surface: 384.627  Negative charged surface: 169.691  Volume: 324.375
  Hydrophobic surface: 467.725  Hydrophilic surface: 86.592
 
 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


MMs01298976
ENAMINE-ZINC03184631