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NCID-ZINC01619328

 MMsINC code: MMs02267903
Type: Neutral
Formula: C28H20S2
SMILES:   S1C(=C(SC(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C28H20S2/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)30-28(24-19-11-4-12-20-24)27(29-25)23-17-9-3-10-18-23/h1-20H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=163.573 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.6 g/mol  logS: -8.87716  SlogP: 8.5184  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0848461  Sterimol/B1: 2.65867  Sterimol/B2: 3.28622  Sterimol/B3: 3.85791
  Sterimol/B4: 7.7201  Sterimol/L: 15.0567 
 
 Surface and Volume Properties
  Accessible surface: 659.12  Positive charged surface: 369.297  Negative charged surface: 289.823  Volume: 410.125
  Hydrophobic surface: 611.647  Hydrophilic surface: 47.473
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.