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CHEMBRIDGE-ZINC00213229

 MMsINC code: MMs00596146
Type: Neutral
Formula: C10H9N3S3
SMILES:   S1C(C(=S)N)=C(N)N(c2ccccc2)C1=S
InChI:   InChI=1/C10H9N3S3/c11-8-7(9(12)14)16-10(15)13(8)6-4-2-1-3-5-6/h1-5H,11H2,(H2,12,14)

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Potential Energy
Epot(MMFF94)=87.8569 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.401 g/mol  logS: -5.27004  SlogP: 1.9386  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111078  Sterimol/B1: 3.58717  Sterimol/B2: 3.68722  Sterimol/B3: 4.18837
  Sterimol/B4: 6.0437  Sterimol/L: 13.3179 
 
 Surface and Volume Properties
  Accessible surface: 438.314  Positive charged surface: 198.583  Negative charged surface: 239.731  Volume: 224.875
  Hydrophobic surface: 173.786  Hydrophilic surface: 264.528
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.