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PUBCHEM-ZINC02851644

 MMsINC code: MMs02938679
Type: Neutral
Formula: C25H27N3O5S
SMILES:   S(=O)(=O)(N(Cc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NCCOC)c1ccccc1)C
InChI:   InChI=1/C25H27N3O5S/c1-33-17-16-26-25(30)22-10-6-7-11-23(22)27-24(29)20-14-12-19(13-15-20)18-28(34(2,31)32)21-8-4-3-5-9-21/h3-15H,16-18H2,1-2H3,(H,26,30)(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=121.862 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 481.573 g/mol  logS: -5.3251  SlogP: 3.5477  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0726084  Sterimol/B1: 3.25892  Sterimol/B2: 3.65478  Sterimol/B3: 6.16329
  Sterimol/B4: 9.04026  Sterimol/L: 20.0393 
 
 Surface and Volume Properties
  Accessible surface: 776.487  Positive charged surface: 485.165  Negative charged surface: 291.323  Volume: 447.5
  Hydrophobic surface: 639.124  Hydrophilic surface: 137.363
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.