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NCID-ZINC01604251

 MMsINC code: MMs02256745
Type: Neutral
Formula: C11H18N4O2S
SMILES:   S(=O)(=O)(N)c1ccc(N=NN(CC(C)C)C)cc1
InChI:   InChI=1/C11H18N4O2S/c1-9(2)8-15(3)14-13-10-4-6-11(7-5-10)18(12,16)17/h4-7,9H,8H2,1-3H3,(H2,12,16,17)/b14-13+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.1903 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.357 g/mol  logS: -2.18405  SlogP: 1.9205  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0508645  Sterimol/B1: 2.40016  Sterimol/B2: 4.0084  Sterimol/B3: 4.21604
  Sterimol/B4: 4.4437  Sterimol/L: 15.4328 
 
 Surface and Volume Properties
  Accessible surface: 514.079  Positive charged surface: 326.307  Negative charged surface: 187.772  Volume: 251
  Hydrophobic surface: 341.851  Hydrophilic surface: 172.228
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02256746
NCID-ZINC01604251