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MAYBRIDGE-ZINC02173066

 MMsINC code: MMs02159488
Type: Neutral
Formula: C19H16S2
SMILES:   S(C(Sc1ccccc1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C19H16S2/c1-4-10-16(11-5-1)19(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15,19H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.8306 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.469 g/mol  logS: -6.87065  SlogP: 6.3653  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133557  Sterimol/B1: 2.20799  Sterimol/B2: 3.43629  Sterimol/B3: 4.0987
  Sterimol/B4: 9.14063  Sterimol/L: 13.8517 
 
 Surface and Volume Properties
  Accessible surface: 545.745  Positive charged surface: 270.573  Negative charged surface: 275.172  Volume: 304.375
  Hydrophobic surface: 498.015  Hydrophilic surface: 47.73
 
 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.