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ASINEX-ZINC01324295

 MMsINC code: MMs00234565
Type: Neutral
Formula: C23H21FN2OS
SMILES:   s1c2cc(n(c2cc1)Cc1ccc(F)cc1)C(=O)N(Cc1ccccc1)CC
InChI:   InChI=1/C23H21FN2OS/c1-2-25(15-17-6-4-3-5-7-17)23(27)21-14-22-20(12-13-28-22)26(21)16-18-8-10-19(24)11-9-18/h3-14H,2,15-16H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.506 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.498 g/mol  logS: -5.54239  SlogP: 6.0853  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129856  Sterimol/B1: 2.08971  Sterimol/B2: 3.3058  Sterimol/B3: 4.14186
  Sterimol/B4: 10.3694  Sterimol/L: 14.2954 
 
 Surface and Volume Properties
  Accessible surface: 596.096  Positive charged surface: 305.464  Negative charged surface: 290.633  Volume: 374.25
  Hydrophobic surface: 541.506  Hydrophilic surface: 54.59
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.