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ASINEX-ZINC01324357

 MMsINC code: MMs00234612
Type: Neutral
Formula: C23H21FN2OS
SMILES:   s1c2cc(n(c2cc1)Cc1ccc(F)cc1)C(=O)Nc1ccc(cc1)C(C)C
InChI:   InChI=1/C23H21FN2OS/c1-15(2)17-5-9-19(10-6-17)25-23(27)21-13-22-20(11-12-28-22)26(21)14-16-3-7-18(24)8-4-16/h3-13,15H,14H2,1-2H3,(H,25,27)

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Potential Energy
Epot(MMFF94)=84.5866 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.498 g/mol  logS: -6.88149  SlogP: 6.5323  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0482447  Sterimol/B1: 2.50459  Sterimol/B2: 4.67051  Sterimol/B3: 4.9908
  Sterimol/B4: 7.09663  Sterimol/L: 17.3864 
 
 Surface and Volume Properties
  Accessible surface: 647.851  Positive charged surface: 334.038  Negative charged surface: 313.813  Volume: 374.125
  Hydrophobic surface: 567.25  Hydrophilic surface: 80.601
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.