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MAYBRIDGE-ZINC01037354

 MMsINC code: MMs02152153
Type: Neutral
Formula: C16H11ClN4O2S2
SMILES:   Clc1ccc(S(=O)(=O)C=2C=Nc3n(nc(c3)-c3sccc3)C=2N)cc1
InChI:   InChI=1/C16H11ClN4O2S2/c17-10-3-5-11(6-4-10)25(22,23)14-9-19-15-8-12(13-2-1-7-24-13)20-21(15)16(14)18/h1-9H,18H2

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Potential Energy
Epot(MMFF94)=101.664 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.875 g/mol  logS: -5.40316  SlogP: 3.5396  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0838865  Sterimol/B1: 3.01291  Sterimol/B2: 4.46512  Sterimol/B3: 4.91444
  Sterimol/B4: 5.24481  Sterimol/L: 18.2086 
 
 Surface and Volume Properties
  Accessible surface: 578.604  Positive charged surface: 237.729  Negative charged surface: 340.875  Volume: 314.5
  Hydrophobic surface: 432.175  Hydrophilic surface: 146.429
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.