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PUBCHEM-ZINC02166995

 MMsINC code: MMs02879141
Type: Neutral
Formula: C19H16S3
SMILES:   S(C(Sc1ccccc1)Sc1ccccc1)c1ccccc1
InChI:   InChI=1/C19H16S3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15,19H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.642 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.535 g/mol  logS: -7.47425  SlogP: 6.6469  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142989  Sterimol/B1: 2.53275  Sterimol/B2: 3.85185  Sterimol/B3: 4.09358
  Sterimol/B4: 9.48773  Sterimol/L: 15.1272 
 
 Surface and Volume Properties
  Accessible surface: 575.388  Positive charged surface: 278.372  Negative charged surface: 297.015  Volume: 323.75
  Hydrophobic surface: 515.898  Hydrophilic surface: 59.49
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.