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ASINEX-ZINC00850553

 MMsINC code: MMs00192290
Type: Neutral
Formula: C24H18O2S
SMILES:   S(=O)(=O)(c1c2c3c(CCc3ccc2)cc1)c1c2c3c(CCc3ccc2)cc1
InChI:   InChI=1/C24H18O2S/c25-27(26,21-13-11-17-9-7-15-3-1-5-19(21)23(15)17)22-14-12-18-10-8-16-4-2-6-20(22)24(16)18/h1-6,11-14H,7-10H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=119.353 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.472 g/mol  logS: -8.79679  SlogP: 5.02288  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.196612  Sterimol/B1: 2.50864  Sterimol/B2: 4.01306  Sterimol/B3: 5.29196
  Sterimol/B4: 8.01687  Sterimol/L: 14.4293 
 
 Surface and Volume Properties
  Accessible surface: 575.013  Positive charged surface: 313.247  Negative charged surface: 243.135  Volume: 343.75
  Hydrophobic surface: 520.58  Hydrophilic surface: 54.433
 
 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.