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NCID-ZINC01720690

 MMsINC code: MMs02345642
Type: Neutral
Formula: C12H20N4O2S
SMILES:   S(=O)(=O)(N(C)C)c1ccc(N=NN(CC)CC)cc1
InChI:   InChI=1/C12H20N4O2S/c1-5-16(6-2)14-13-11-7-9-12(10-8-11)19(17,18)15(3)4/h7-10H,5-6H2,1-4H3/b14-13+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.0663 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.384 g/mol  logS: -1.79467  SlogP: 2.2774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0719135  Sterimol/B1: 2.42733  Sterimol/B2: 2.5943  Sterimol/B3: 4.81986
  Sterimol/B4: 5.63817  Sterimol/L: 14.9451 
 
 Surface and Volume Properties
  Accessible surface: 537.943  Positive charged surface: 374.396  Negative charged surface: 163.547  Volume: 275.125
  Hydrophobic surface: 436.663  Hydrophilic surface: 101.28
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.