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ENAMINE-ZINC03187680

 MMsINC code: MMs01299960
Type: Neutral
Formula: C23H14FN3OS
SMILES:   s1c2c(nc1NC(=O)c1cc(nc3c1cccc3)-c1ccc(F)cc1)cccc2
InChI:   InChI=1/C23H14FN3OS/c24-15-11-9-14(10-12-15)20-13-17(16-5-1-2-6-18(16)25-20)22(28)27-23-26-19-7-3-4-8-21(19)29-23/h1-13H,(H,26,27,28)

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Potential Energy
Epot(MMFF94)=105.341 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.449 g/mol  logS: -7.92042  SlogP: 5.9029  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000321428  Sterimol/B1: 2.18994  Sterimol/B2: 2.35128  Sterimol/B3: 2.44898
  Sterimol/B4: 11.1085  Sterimol/L: 18.3676 
 
 Surface and Volume Properties
  Accessible surface: 638.92  Positive charged surface: 304.609  Negative charged surface: 323.239  Volume: 357.5
  Hydrophobic surface: 554.448  Hydrophilic surface: 84.472
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.