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ENAMINE-ZINC02726404

 MMsINC code: MMs01286819
Type: Neutral
Formula: C26H24N2O6S
SMILES:   S(=O)(=O)(N)c1ccc(cc1)CCNC(=O)c1ccc(cc1)COc1cc2OC(=O)C=C(c2c
c1)C
InChI:   InChI=1/C26H24N2O6S/c1-17-14-25(29)34-24-15-21(8-11-23(17)24)33-16-19-2-6-20(7-3-19)26(30)28-13-12-18-4-9-22(10-5-18)35(27,31)32/h2-11,14-15H,12-13,16H2,1H3,(H,28,30)(H2,27,31,32)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.726 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 492.552 g/mol  logS: -7.12179  SlogP: 3.47417  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0193689  Sterimol/B1: 2.4744  Sterimol/B2: 2.86281  Sterimol/B3: 5.27959
  Sterimol/B4: 6.18531  Sterimol/L: 27.0472 
 
 Surface and Volume Properties
  Accessible surface: 810.499  Positive charged surface: 437.052  Negative charged surface: 373.448  Volume: 442
  Hydrophobic surface: 561.578  Hydrophilic surface: 248.921
 
 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


MMs01286820
ENAMINE-ZINC02726404