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ENAMINE-ZINC03477581

 MMsINC code: MMs01464248
Type: Ionized
Formula: C15H26N3O4S2+
SMILES:   S(=O)(=O)(N1CCCC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1
InChI:   InChI=1/C15H25N3O4S2/c1-17(2)11-5-10-16-23(19,20)14-6-8-15(9-7-14)24(21,22)18-12-3-4-13-18/h6-9,16H,3-5,10-13H2,1-2H3/p+1

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Potential Energy
Epot(MMFF94)=-0.0109268 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.522 g/mol  logS: -1.76407  SlogP: -0.716  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0566896  Sterimol/B1: 3.01736  Sterimol/B2: 3.78475  Sterimol/B3: 4.29723
  Sterimol/B4: 7.32236  Sterimol/L: 18.5695 
 
 Surface and Volume Properties
  Accessible surface: 634.779  Positive charged surface: 446.01  Negative charged surface: 188.77  Volume: 343.625
  Hydrophobic surface: 422.828  Hydrophilic surface: 211.951
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 1
  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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MMs01464247
ENAMINE-ZINC03477581