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CHEMSTAR-ZINC02952637

 MMsINC code: MMs01082573
Type: Neutral
Formula: C27H24N2O5S2
SMILES:   S(=O)(=O)(NCc1ccccc1)c1cc(ccc1)C(=O)c1cc(S(=O)(=O)NCc2ccccc2
)ccc1
InChI:   InChI=1/C27H24N2O5S2/c30-27(23-13-7-15-25(17-23)35(31,32)28-19-21-9-3-1-4-10-21)24-14-8-16-26(18-24)36(33,34)29-20-22-11-5-2-6-12-22/h1-18,28-29H,19-20H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.3707 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 520.63 g/mol  logS: -6.66945  SlogP: 4.4074  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169747  Sterimol/B1: 3.75849  Sterimol/B2: 5.30637  Sterimol/B3: 5.7849
  Sterimol/B4: 8.96107  Sterimol/L: 16.5194 
 
 Surface and Volume Properties
  Accessible surface: 798.237  Positive charged surface: 393.53  Negative charged surface: 404.708  Volume: 462.75
  Hydrophobic surface: 601.43  Hydrophilic surface: 196.807
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.