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ENAMINE-ZINC01569766

 MMsINC code: MMs01242728
Type: Neutral
Formula: C16H16N6O2S2
SMILES:   S=C(Nc1ccccc1)NNC(=O)C(=O)NNC(=S)Nc1ccccc1
InChI:   InChI=1/C16H16N6O2S2/c23-13(19-21-15(25)17-11-7-3-1-4-8-11)14(24)20-22-16(26)18-12-9-5-2-6-10-12/h1-10H,(H,19,23)(H,20,24)(H2,17,21,25)(H2,18,22,26)

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Potential Energy
Epot(MMFF94)=164.723 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.476 g/mol  logS: -5.90496  SlogP: 1.022  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0166197  Sterimol/B1: 2.96397  Sterimol/B2: 3.19498  Sterimol/B3: 4.58301
  Sterimol/B4: 5.49175  Sterimol/L: 22.3219 
 
 Surface and Volume Properties
  Accessible surface: 661.492  Positive charged surface: 312.549  Negative charged surface: 348.943  Volume: 341
  Hydrophobic surface: 366.122  Hydrophilic surface: 295.37
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.