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ENAMINE-ZINC03321614

 MMsINC code: MMs01370467
Type: Neutral
Formula: C25H23FN2O6S
SMILES:   S(=O)(=O)(N1CCOCC1)c1cc(ccc1F)C(OCC(=O)Nc1ccccc1-c1ccccc1)=O
InChI:   InChI=1/C25H23FN2O6S/c26-21-11-10-19(16-23(21)35(31,32)28-12-14-33-15-13-28)25(30)34-17-24(29)27-22-9-5-4-8-20(22)18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,27,29)

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Potential Energy
Epot(MMFF94)=119.542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 498.531 g/mol  logS: -6.68944  SlogP: 3.3091  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0257205  Sterimol/B1: 2.56273  Sterimol/B2: 3.19313  Sterimol/B3: 4.0074
  Sterimol/B4: 9.57392  Sterimol/L: 21.0162 
 
 Surface and Volume Properties
  Accessible surface: 771.071  Positive charged surface: 452.655  Negative charged surface: 314.459  Volume: 435.875
  Hydrophobic surface: 628.847  Hydrophilic surface: 142.224
 
 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.