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PUBCHEM-ZINC02999765

 MMsINC code: MMs02977918
Type: Neutral
Formula: C23H23FN2O4S
SMILES:   S(=O)(=O)(N1CCCC1C(=O)NCCOc1ccccc1F)c1cc2c(cc1)cccc2
InChI:   InChI=1/C23H23FN2O4S/c24-20-8-3-4-10-22(20)30-15-13-25-23(27)21-9-5-14-26(21)31(28,29)19-12-11-17-6-1-2-7-18(17)16-19/h1-4,6-8,10-12,16,21H,5,9,13-15H2,(H,25,27)/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.7829 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 442.511 g/mol  logS: -6.04097  SlogP: 3.3272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0746191  Sterimol/B1: 2.83681  Sterimol/B2: 3.21101  Sterimol/B3: 5.30527
  Sterimol/B4: 8.46215  Sterimol/L: 19.6996 
 
 Surface and Volume Properties
  Accessible surface: 720.457  Positive charged surface: 412.098  Negative charged surface: 297.288  Volume: 400.125
  Hydrophobic surface: 645.596  Hydrophilic surface: 74.861
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.