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PUBCHEM-ZINC02691978

 MMsINC code: MMs02910538
Type: Neutral
Formula: C23H16FNO5S
SMILES:   S(=O)(=O)(C1=CN(c2c(cc3OCOc3c2)C1=O)Cc1ccccc1)c1ccc(F)cc1
InChI:   InChI=1/C23H16FNO5S/c24-16-6-8-17(9-7-16)31(27,28)22-13-25(12-15-4-2-1-3-5-15)19-11-21-20(29-14-30-21)10-18(19)23(22)26/h1-11,13H,12,14H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.547 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 437.447 g/mol  logS: -6.05717  SlogP: 4.339  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0914933  Sterimol/B1: 3.20686  Sterimol/B2: 3.42459  Sterimol/B3: 4.73107
  Sterimol/B4: 10.1602  Sterimol/L: 16.2491 
 
 Surface and Volume Properties
  Accessible surface: 641.329  Positive charged surface: 328.505  Negative charged surface: 312.823  Volume: 370.875
  Hydrophobic surface: 499.562  Hydrophilic surface: 141.767
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.