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ENAMINE-ZINC03217930

 MMsINC code: MMs01311424
Type: Neutral
Formula: C19H19FN4O3S
SMILES:   S(=O)(=O)(Nc1ccccc1F)c1cc(ccc1)C(=O)NCCCn1ccnc1
InChI:   InChI=1/C19H19FN4O3S/c20-17-7-1-2-8-18(17)23-28(26,27)16-6-3-5-15(13-16)19(25)22-9-4-11-24-12-10-21-14-24/h1-3,5-8,10,12-14,23H,4,9,11H2,(H,22,25)

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Potential Energy
Epot(MMFF94)=53.7917 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.45 g/mol  logS: -3.98217  SlogP: 2.9095  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0632495  Sterimol/B1: 3.13599  Sterimol/B2: 3.25773  Sterimol/B3: 4.74095
  Sterimol/B4: 7.88939  Sterimol/L: 18.2035 
 
 Surface and Volume Properties
  Accessible surface: 657.169  Positive charged surface: 396.219  Negative charged surface: 260.949  Volume: 353.25
  Hydrophobic surface: 503.461  Hydrophilic surface: 153.708
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.