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ASINEX-ZINC00784122

 MMsINC code: MMs00162866
Type: Neutral
Formula: C23H23FN2O3S
SMILES:   S(=O)(=O)(N1CCCC1C(=O)NCCc1ccccc1F)c1cc2c(cc1)cccc2
InChI:   InChI=1/C23H23FN2O3S/c24-21-9-4-3-7-18(21)13-14-25-23(27)22-10-5-15-26(22)30(28,29)20-12-11-17-6-1-2-8-19(17)16-20/h1-4,6-9,11-12,16,22H,5,10,13-15H2,(H,25,27)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.7905 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.512 g/mol  logS: -6.02562  SlogP: 3.49087  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0558508  Sterimol/B1: 3.1238  Sterimol/B2: 3.30823  Sterimol/B3: 5.27596
  Sterimol/B4: 8.7661  Sterimol/L: 19.6256 
 
 Surface and Volume Properties
  Accessible surface: 699.574  Positive charged surface: 393.711  Negative charged surface: 294.791  Volume: 391.125
  Hydrophobic surface: 625.314  Hydrophilic surface: 74.26
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.