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MAYBRIDGE-ZINC00120911

 MMsINC code: MMs02135278
Type: Neutral
Formula: C7H10N4OS2
SMILES:   s1cc(nc1C)C(=O)NNC(=S)NC
InChI:   InChI=1/C7H10N4OS2/c1-4-9-5(3-14-4)6(12)10-11-7(13)8-2/h3H,1-2H3,(H,10,12)(H2,8,11,13)

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Potential Energy
Epot(MMFF94)=34.5966 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.316 g/mol  logS: -1.70663  SlogP: 0.19022  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0133695  Sterimol/B1: 2.10727  Sterimol/B2: 2.37717  Sterimol/B3: 2.51209
  Sterimol/B4: 6.66962  Sterimol/L: 13.3658 
 
 Surface and Volume Properties
  Accessible surface: 431.024  Positive charged surface: 234.88  Negative charged surface: 196.144  Volume: 196
  Hydrophobic surface: 267.105  Hydrophilic surface: 163.919
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.