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CHEMDIV-ZINC04760098

 MMsINC code: MMs00948047
Type: Neutral
Formula: C24H23FN2O4S
SMILES:   s1cccc1C1N(C)C(=O)c2c(cc(OC)c(OC)c2)C1C(=O)NCc1ccc(F)cc1
InChI:   InChI=1/C24H23FN2O4S/c1-27-22(20-5-4-10-32-20)21(23(28)26-13-14-6-8-15(25)9-7-14)16-11-18(30-2)19(31-3)12-17(16)24(27)29/h4-12,21-22H,13H2,1-3H3,(H,26,28)/t21-,22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=115.447 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 454.522 g/mol  logS: -5.39423  SlogP: 4.4932  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158679  Sterimol/B1: 2.25124  Sterimol/B2: 2.39018  Sterimol/B3: 7.64875
  Sterimol/B4: 10.3221  Sterimol/L: 18.265 
 
 Surface and Volume Properties
  Accessible surface: 700.543  Positive charged surface: 467.711  Negative charged surface: 232.832  Volume: 411.75
  Hydrophobic surface: 631.136  Hydrophilic surface: 69.407
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.