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ENAMINE-ZINC03477549

 MMsINC code: MMs01464226
Type: Neutral
Formula: C25H26N2O6S
SMILES:   S(=O)(=O)(N(C)c1ccccc1OC)c1ccc(cc1)C(OCC(=O)NCc1ccc(cc1)C)=O
InChI:   InChI=1/C25H26N2O6S/c1-18-8-10-19(11-9-18)16-26-24(28)17-33-25(29)20-12-14-21(15-13-20)34(30,31)27(2)22-6-4-5-7-23(22)32-3/h4-15H,16-17H2,1-3H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.021 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 482.557 g/mol  logS: -5.9688  SlogP: 3.56832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0315024  Sterimol/B1: 3.54482  Sterimol/B2: 3.94619  Sterimol/B3: 4.03975
  Sterimol/B4: 6.38129  Sterimol/L: 24.7054 
 
 Surface and Volume Properties
  Accessible surface: 784.37  Positive charged surface: 481.704  Negative charged surface: 302.666  Volume: 449
  Hydrophobic surface: 636.053  Hydrophilic surface: 148.317
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.