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NCID-ZINC01734627

 MMsINC code: MMs02356922
Type: Neutral
Formula: C15H10S3
SMILES:   S1SC(=S)C(=C1c1ccccc1)c1ccccc1
InChI:   InChI=1/C15H10S3/c16-15-13(11-7-3-1-4-8-11)14(17-18-15)12-9-5-2-6-10-12/h1-10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.9655 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.443 g/mol  logS: -7.59241  SlogP: 5.2773  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.20895  Sterimol/B1: 2.49494  Sterimol/B2: 3.31821  Sterimol/B3: 3.72106
  Sterimol/B4: 8.74583  Sterimol/L: 11.7086 
 
 Surface and Volume Properties
  Accessible surface: 466.745  Positive charged surface: 190.986  Negative charged surface: 275.759  Volume: 257.25
  Hydrophobic surface: 400.154  Hydrophilic surface: 66.591
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.