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ENAMINE-ZINC03438380

 MMsINC code: MMs01442349
Type: Neutral
Formula: C15H19N5O3S2
SMILES:   S(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1[nH]ncn1
InChI:   InChI=1/C15H19N5O3S2/c21-14(10-24-15-16-11-17-19-15)18-12-4-6-13(7-5-12)25(22,23)20-8-2-1-3-9-20/h4-7,11H,1-3,8-10H2,(H,18,21)(H,16,17,19)

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Potential Energy
Epot(MMFF94)=54.9945 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.481 g/mol  logS: -4.27066  SlogP: 1.7101  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0401177  Sterimol/B1: 3.48329  Sterimol/B2: 3.51839  Sterimol/B3: 4.38185
  Sterimol/B4: 4.85966  Sterimol/L: 20.4212 
 
 Surface and Volume Properties
  Accessible surface: 618.867  Positive charged surface: 398.081  Negative charged surface: 220.786  Volume: 326.375
  Hydrophobic surface: 366.069  Hydrophilic surface: 252.798
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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.