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CHEMBLOCK-ZINC00074906

 MMsINC code: MMs00494009
Type: Neutral
Formula: C9H4ClN3S3
SMILES:   ClC/1=NSS\C\1=N/c1sc2c(n1)cccc2
InChI:   InChI=1/C9H4ClN3S3/c10-7-8(15-16-13-7)12-9-11-5-3-1-2-4-6(5)14-9/h1-4H/b12-8-

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Potential Energy
Epot(MMFF94)=82.383 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.803 g/mol  logS: -6.78713  SlogP: 4.2736  Reactive groups: 1
 
 Topological Properties
  Globularity: 2.47153e-07  Sterimol/B1: 2.1885  Sterimol/B2: 2.18944  Sterimol/B3: 3.61791
  Sterimol/B4: 4.65134  Sterimol/L: 13.6058 
 
 Surface and Volume Properties
  Accessible surface: 434.88  Positive charged surface: 190.94  Negative charged surface: 243.94  Volume: 216.5
  Hydrophobic surface: 282.145  Hydrophilic surface: 152.735
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.