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CHEMBRIDGE-ZINC03845289

 MMsINC code: MMs00754834
Type: Neutral
Formula: C10H14N4S2
SMILES:   S(Cc1ccc(cc1)CSC(N)=N)C(N)=N
InChI:   InChI=1/C10H14N4S2/c11-9(12)15-5-7-1-2-8(4-3-7)6-16-10(13)14/h1-4H,5-6H2,(H3,11,12)(H3,13,14)

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Potential Energy
Epot(MMFF94)=-20.7028 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.382 g/mol  logS: -4.38632  SlogP: 2.47274  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0467239  Sterimol/B1: 2.42418  Sterimol/B2: 3.12877  Sterimol/B3: 3.36093
  Sterimol/B4: 4.83046  Sterimol/L: 17.4324 
 
 Surface and Volume Properties
  Accessible surface: 494.591  Positive charged surface: 311.498  Negative charged surface: 183.094  Volume: 236.5
  Hydrophobic surface: 176.272  Hydrophilic surface: 318.319
 
 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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Ions/Tautomers related molecules: no related molecules available.