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ASINEX-ZINC00800238

 MMsINC code: MMs00169719
Type: Neutral
Formula: C19H19F3N2O2S
SMILES:   s1cccc1C(N(C(=O)C(F)(F)F)c1ccccc1)C(=O)NC1CCCC1
InChI:   InChI=1/C19H19F3N2O2S/c20-19(21,22)18(26)24(14-9-2-1-3-10-14)16(15-11-6-12-27-15)17(25)23-13-7-4-5-8-13/h1-3,6,9-13,16H,4-5,7-8H2,(H,23,25)/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=145.908 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.433 g/mol  logS: -5.26703  SlogP: 4.9589  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.166806  Sterimol/B1: 2.097  Sterimol/B2: 3.32595  Sterimol/B3: 6.93386
  Sterimol/B4: 8.73776  Sterimol/L: 14.6722 
 
 Surface and Volume Properties
  Accessible surface: 599.794  Positive charged surface: 320.648  Negative charged surface: 279.146  Volume: 341.875
  Hydrophobic surface: 489.687  Hydrophilic surface: 110.107
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.