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NANOSIN-ZINC04256852

 MMsINC code: MMs02204998
Type: Tautomer
Formula: C4H10N4S
SMILES:   S(CC)C(NC(N)=N)=N
InChI:   InChI=1/C4H10N4S/c1-2-9-4(7)8-3(5)6/h2H2,1H3,(H5,5,6,7,8)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-26.4173 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.218 g/mol  logS: -1.8742  SlogP: 0.15734  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0260909  Sterimol/B1: 2.44811  Sterimol/B2: 2.54207  Sterimol/B3: 2.99624
  Sterimol/B4: 3.43868  Sterimol/L: 11.7387 
 
 Surface and Volume Properties
  Accessible surface: 329.723  Positive charged surface: 220.828  Negative charged surface: 108.895  Volume: 136.375
  Hydrophobic surface: 94.9438  Hydrophilic surface: 234.7792
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 2  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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Parent related molecule:


MMs02204997
NANOSIN-ZINC04256852