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PUBCHEM-ZINC05282905

 MMsINC code: MMs03231401
Type: Neutral
Formula: C7H10N4OS2
SMILES:   S=C1NCCN1C(=S)N1CCNC1=O
InChI:   InChI=1/C7H10N4OS2/c12-5-8-1-3-10(5)7(14)11-4-2-9-6(11)13/h1-4H2,(H,8,12)(H,9,13)

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Potential Energy
Epot(MMFF94)=86.1778 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.316 g/mol  logS: -2.85395  SlogP: -0.5134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103678  Sterimol/B1: 2.58691  Sterimol/B2: 3.07841  Sterimol/B3: 4.50913
  Sterimol/B4: 5.90304  Sterimol/L: 11.2951 
 
 Surface and Volume Properties
  Accessible surface: 390.131  Positive charged surface: 249.625  Negative charged surface: 140.506  Volume: 190.75
  Hydrophobic surface: 172.208  Hydrophilic surface: 217.923
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.