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CHEMDIV-ZINC03023212

 MMsINC code: MMs00903508
Type: Neutral
Formula: C26H27FN2O4S
SMILES:   S(=O)(=O)(NC1CCCCCC1)c1cc(ccc1F)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChI:   InChI=1/C26H27FN2O4S/c27-24-17-12-19(18-25(24)34(31,32)29-21-8-4-1-2-5-9-21)26(30)28-20-13-15-23(16-14-20)33-22-10-6-3-7-11-22/h3,6-7,10-18,21,29H,1-2,4-5,8-9H2,(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.4251 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 482.576 g/mol  logS: -7.2569  SlogP: 5.8714  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0675874  Sterimol/B1: 2.96775  Sterimol/B2: 4.77272  Sterimol/B3: 5.82921
  Sterimol/B4: 6.28113  Sterimol/L: 20.4989 
 
 Surface and Volume Properties
  Accessible surface: 756.101  Positive charged surface: 432.153  Negative charged surface: 323.948  Volume: 440.5
  Hydrophobic surface: 645.558  Hydrophilic surface: 110.543
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.