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CHEMDIV-ZINC06893654

 MMsINC code: MMs01055257
Type: Neutral
Formula: C17H20FN3O3S
SMILES:   S(=O)(=O)(N1CCCCC1)c1cc([nH]c1)C(=O)NCc1ccc(F)cc1
InChI:   InChI=1/C17H20FN3O3S/c18-14-6-4-13(5-7-14)11-20-17(22)16-10-15(12-19-16)25(23,24)21-8-2-1-3-9-21/h4-7,10,12,19H,1-3,8-9,11H2,(H,20,22)

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Potential Energy
Epot(MMFF94)=26.2054 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.429 g/mol  logS: -2.85774  SlogP: 2.5248  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0626823  Sterimol/B1: 2.36002  Sterimol/B2: 3.44821  Sterimol/B3: 4.76809
  Sterimol/B4: 6.00287  Sterimol/L: 18.8608 
 
 Surface and Volume Properties
  Accessible surface: 609.574  Positive charged surface: 362.971  Negative charged surface: 246.604  Volume: 324.25
  Hydrophobic surface: 457.99  Hydrophilic surface: 151.584
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.