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ASINEX-ZINC00869206

 MMsINC code: MMs00200885
Type: Neutral
Formula: C24H23FN2O3S
SMILES:   S(=O)(=O)(N1Cc2c(CC1C(=O)NCCc1ccccc1)cccc2)c1ccc(F)cc1
InChI:   InChI=1/C24H23FN2O3S/c25-21-10-12-22(13-11-21)31(29,30)27-17-20-9-5-4-8-19(20)16-23(27)24(28)26-15-14-18-6-2-1-3-7-18/h1-13,23H,14-17H2,(H,26,28)/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.752 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 438.523 g/mol  logS: -5.54713  SlogP: 3.56654  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100227  Sterimol/B1: 3.58995  Sterimol/B2: 5.10457  Sterimol/B3: 5.129
  Sterimol/B4: 6.15974  Sterimol/L: 18.5349 
 
 Surface and Volume Properties
  Accessible surface: 689.027  Positive charged surface: 379.807  Negative charged surface: 309.22  Volume: 398.5
  Hydrophobic surface: 619.592  Hydrophilic surface: 69.435
 
 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.