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PUBCHEM-ZINC05377164

 MMsINC code: MMs03250660
Type: Neutral
Formula: C4H8N4S
SMILES:   S=C1NC2NCNC2N1
InChI:   InChI=1/C4H8N4S/c9-4-7-2-3(8-4)6-1-5-2/h2-3,5-6H,1H2,(H2,7,8,9)/t2-,3-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.4148 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 144.202 g/mol  logS: -0.11949  SlogP: -1.7334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114528  Sterimol/B1: 2.46906  Sterimol/B2: 3.12287  Sterimol/B3: 3.3043
  Sterimol/B4: 3.30729  Sterimol/L: 10.5405 
 
 Surface and Volume Properties
  Accessible surface: 307.701  Positive charged surface: 203.727  Negative charged surface: 103.974  Volume: 123.875
  Hydrophobic surface: 73.8659  Hydrophilic surface: 233.8351
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.