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ENAMINE-ZINC03464405

 MMsINC code: MMs01458821
Type: Neutral
Formula: C25H26N2O6S
SMILES:   S(=O)(=O)(N(CC)c1ccccc1)c1ccc(cc1)C(OCC(=O)NCc1ccccc1OC)=O
InChI:   InChI=1/C25H26N2O6S/c1-3-27(21-10-5-4-6-11-21)34(30,31)22-15-13-19(14-16-22)25(29)33-18-24(28)26-17-20-9-7-8-12-23(20)32-2/h4-16H,3,17-18H2,1-2H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.636 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 482.557 g/mol  logS: -5.82209  SlogP: 3.65  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0506429  Sterimol/B1: 2.55602  Sterimol/B2: 4.71544  Sterimol/B3: 4.82336
  Sterimol/B4: 6.84451  Sterimol/L: 23.5886 
 
 Surface and Volume Properties
  Accessible surface: 784.793  Positive charged surface: 478.888  Negative charged surface: 305.906  Volume: 443.875
  Hydrophobic surface: 613.842  Hydrophilic surface: 170.951
 
 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.