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ASINEX-ZINC04971303

 MMsINC code: MMs00418945
Type: Neutral
Formula: C21H23FN2OS
SMILES:   s1c2cc(n(c2cc1)Cc1ccc(F)cc1)C(=O)N1C(CCCC1C)C
InChI:   InChI=1/C21H23FN2OS/c1-14-4-3-5-15(2)24(14)21(25)19-12-20-18(10-11-26-20)23(19)13-16-6-8-17(22)9-7-16/h6-12,14-15H,3-5,13H2,1-2H3/t14-,15-/m1/s1

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Potential Energy
Epot(MMFF94)=100.386 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.492 g/mol  logS: -4.85585  SlogP: 5.5597  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.198516  Sterimol/B1: 2.27677  Sterimol/B2: 4.31198  Sterimol/B3: 6.48171
  Sterimol/B4: 7.69891  Sterimol/L: 12.8398 
 
 Surface and Volume Properties
  Accessible surface: 579.87  Positive charged surface: 316.443  Negative charged surface: 263.427  Volume: 350.75
  Hydrophobic surface: 522.164  Hydrophilic surface: 57.706
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.