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MAYBRIDGE-ZINC00111438

 MMsINC code: MMs02133534
Type: Neutral
Formula: C10H10ClN3S2
SMILES:   Clc1cc/2c(SCC\C\2=N\NC(=S)N)cc1
InChI:   InChI=1/C10H10ClN3S2/c11-6-1-2-9-7(5-6)8(3-4-16-9)13-14-10(12)15/h1-2,5H,3-4H2,(H3,12,14,15)/b13-8+

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Potential Energy
Epot(MMFF94)=37.2619 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.796 g/mol  logS: -4.65621  SlogP: 2.3731  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0397399  Sterimol/B1: 2.99321  Sterimol/B2: 3.00642  Sterimol/B3: 4.57947
  Sterimol/B4: 6.48361  Sterimol/L: 13.6691 
 
 Surface and Volume Properties
  Accessible surface: 460.358  Positive charged surface: 204.9  Negative charged surface: 255.458  Volume: 228.5
  Hydrophobic surface: 259.635  Hydrophilic surface: 200.723
 
 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.