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PUBCHEM-ZINC04154665

 MMsINC code: MMs03094233
Type: Neutral
Formula: C24H16N2S2
SMILES:   s1c2c(nc1\C=C\c1ccccc1)cc1nc(sc1c2)\C=C\c1ccccc1
InChI:   InChI=1/C24H16N2S2/c1-3-7-17(8-4-1)11-13-23-25-19-15-20-22(16-21(19)27-23)28-24(26-20)14-12-18-9-5-2-6-10-18/h1-16H/b13-11+,14-12+

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Potential Energy
Epot(MMFF94)=89.8823 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.538 g/mol  logS: -6.9133  SlogP: 7.2468  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.02295e-07  Sterimol/B1: 2.18808  Sterimol/B2: 2.18966  Sterimol/B3: 3.4013
  Sterimol/B4: 6.1092  Sterimol/L: 24.4041 
 
 Surface and Volume Properties
  Accessible surface: 697.42  Positive charged surface: 319.608  Negative charged surface: 377.812  Volume: 379.75
  Hydrophobic surface: 640.244  Hydrophilic surface: 57.176
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.