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ENAMINE-ZINC03477581

 MMsINC code: MMs01464247
Type: Neutral
Formula: C15H25N3O4S2
SMILES:   S(=O)(=O)(N1CCCC1)c1ccc(S(=O)(=O)NCCCN(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

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Potential Energy
Epot(MMFF94)=15.0899 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.514 g/mol  logS: -1.78846  SlogP: 0.7011  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0472804  Sterimol/B1: 2.34648  Sterimol/B2: 3.96304  Sterimol/B3: 4.43693
  Sterimol/B4: 7.68732  Sterimol/L: 18.8815 
 
 Surface and Volume Properties
  Accessible surface: 628.303  Positive charged surface: 441.249  Negative charged surface: 187.054  Volume: 337.375
  Hydrophobic surface: 485.161  Hydrophilic surface: 143.142
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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


MMs01464248
ENAMINE-ZINC03477581