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ASINEX-ZINC04861164

 MMsINC code: MMs00387866
Type: Neutral
Formula: C18H19FN4O3S
SMILES:   S(CC(=O)Nc1ccc(F)cc1)c1nnc(n1CCCOC)-c1occc1
InChI:   InChI=1/C18H19FN4O3S/c1-25-10-3-9-23-17(15-4-2-11-26-15)21-22-18(23)27-12-16(24)20-14-7-5-13(19)6-8-14/h2,4-8,11H,3,9-10,12H2,1H3,(H,20,24)

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Potential Energy
Epot(MMFF94)=61.4867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.439 g/mol  logS: -6.38946  SlogP: 3.7109  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0142984  Sterimol/B1: 2.10723  Sterimol/B2: 2.39407  Sterimol/B3: 3.35191
  Sterimol/B4: 10.6118  Sterimol/L: 19.5141 
 
 Surface and Volume Properties
  Accessible surface: 673.651  Positive charged surface: 408.58  Negative charged surface: 265.071  Volume: 351.25
  Hydrophobic surface: 553.29  Hydrophilic surface: 120.361
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.