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ASINEX-ZINC06679206

 MMsINC code: MMs00443305
Type: Neutral
Formula: C18H17F2N3O4S
SMILES:   s1c2c(N(CC(=O)Nc3cc(F)ccc3F)C(=O)N(CCCOC)C2=O)cc1
InChI:   InChI=1/C18H17F2N3O4S/c1-27-7-2-6-22-17(25)16-14(5-8-28-16)23(18(22)26)10-15(24)21-13-9-11(19)3-4-12(13)20/h3-5,8-9H,2,6-7,10H2,1H3,(H,21,24)

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Potential Energy
Epot(MMFF94)=55.2577 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.413 g/mol  logS: -4.46339  SlogP: 3.0837  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0674373  Sterimol/B1: 2.51812  Sterimol/B2: 3.0265  Sterimol/B3: 4.70622
  Sterimol/B4: 8.74234  Sterimol/L: 18.9087 
 
 Surface and Volume Properties
  Accessible surface: 641.73  Positive charged surface: 369.873  Negative charged surface: 271.857  Volume: 345.125
  Hydrophobic surface: 538.19  Hydrophilic surface: 103.54
 
 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.