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ENAMINE-ZINC03229846

 MMsINC code: MMs01318443
Type: Neutral
Formula: C19H14ClN3O2S2
SMILES:   Clc1sc(nc1S(=O)(=O)c1ccc(cc1)C)Nc1c2c(ccc1)cncc2
InChI:   InChI=1/C19H14ClN3O2S2/c1-12-5-7-14(8-6-12)27(24,25)18-17(20)26-19(23-18)22-16-4-2-3-13-11-21-10-9-15(13)16/h2-11H,1H3,(H,22,23)

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Potential Energy
Epot(MMFF94)=124.309 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.925 g/mol  logS: -6.89159  SlogP: 5.22952  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0987031  Sterimol/B1: 2.48765  Sterimol/B2: 4.19973  Sterimol/B3: 5.3783
  Sterimol/B4: 7.64917  Sterimol/L: 17.9998 
 
 Surface and Volume Properties
  Accessible surface: 618.51  Positive charged surface: 308.209  Negative charged surface: 299.731  Volume: 346.375
  Hydrophobic surface: 514.309  Hydrophilic surface: 104.201
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.