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ENAMINE-ZINC03459287

 MMsINC code: MMs01456125
Type: Neutral
Formula: C25H24N2O6S
SMILES:   S(=O)(=O)(N(CC)c1ccccc1)c1cc(ccc1)C(OCC(=O)Nc1ccccc1C(=O)C)=
O
InChI:   InChI=1/C25H24N2O6S/c1-3-27(20-11-5-4-6-12-20)34(31,32)21-13-9-10-19(16-21)25(30)33-17-24(29)26-23-15-8-7-14-22(23)18(2)28/h4-16H,3,17H2,1-2H3,(H,26,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=144.417 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 480.541 g/mol  logS: -6.13994  SlogP: 3.8999  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0515386  Sterimol/B1: 2.5504  Sterimol/B2: 4.54733  Sterimol/B3: 4.97901
  Sterimol/B4: 7.6265  Sterimol/L: 20.7022 
 
 Surface and Volume Properties
  Accessible surface: 750.508  Positive charged surface: 410.267  Negative charged surface: 340.241  Volume: 435.625
  Hydrophobic surface: 570.655  Hydrophilic surface: 179.853
 
 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.