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ASINEX-ZINC04971286

 MMsINC code: MMs00418935
Type: Neutral
Formula: C23H19FN2OS
SMILES:   s1c2cc(n(c2cc1)Cc1ccc(F)cc1)C(=O)N1c2c(CC1C)cccc2
InChI:   InChI=1/C23H19FN2OS/c1-15-12-17-4-2-3-5-19(17)26(15)23(27)21-13-22-20(10-11-28-22)25(21)14-16-6-8-18(24)9-7-16/h2-11,13,15H,12,14H2,1H3/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=136.077 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.482 g/mol  logS: -5.78222  SlogP: 5.74797  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0646278  Sterimol/B1: 2.38121  Sterimol/B2: 2.86657  Sterimol/B3: 4.69859
  Sterimol/B4: 9.47365  Sterimol/L: 15.3825 
 
 Surface and Volume Properties
  Accessible surface: 609.924  Positive charged surface: 316.003  Negative charged surface: 293.921  Volume: 360.375
  Hydrophobic surface: 570.355  Hydrophilic surface: 39.569
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.