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CHEMBRIDGE-ZINC02332385

 MMsINC code: MMs00707457
Type: Neutral
Formula: C10H7ClN4OS
SMILES:   Clc1cc(ccc1)-c1n2NC(=O)CSc2nn1
InChI:   InChI=1/C10H7ClN4OS/c11-7-3-1-2-6(4-7)9-12-13-10-15(9)14-8(16)5-17-10/h1-4H,5H2,(H,14,16)

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Potential Energy
Epot(MMFF94)=54.7647 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.712 g/mol  logS: -5.35381  SlogP: 1.7743  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0190537  Sterimol/B1: 2.39483  Sterimol/B2: 2.92769  Sterimol/B3: 3.89223
  Sterimol/B4: 5.89118  Sterimol/L: 12.5938 
 
 Surface and Volume Properties
  Accessible surface: 429.035  Positive charged surface: 165.326  Negative charged surface: 263.709  Volume: 212.625
  Hydrophobic surface: 266.111  Hydrophilic surface: 162.924
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.