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CHEMBRIDGE-ZINC04747113

 MMsINC code: MMs00782840
Type: Neutral
Formula: C19H14FN3OS2
SMILES:   S1\C(=N/c2sccn2)\N(C(=O)C1Cc1ccc(F)cc1)c1ccccc1
InChI:   InChI=1/C19H14FN3OS2/c20-14-8-6-13(7-9-14)12-16-17(24)23(15-4-2-1-3-5-15)19(26-16)22-18-21-10-11-25-18/h1-11,16H,12H2/b22-19-/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=112.659 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.471 g/mol  logS: -6.57932  SlogP: 4.66097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0717509  Sterimol/B1: 2.80336  Sterimol/B2: 3.58444  Sterimol/B3: 3.893
  Sterimol/B4: 9.35091  Sterimol/L: 16.5401 
 
 Surface and Volume Properties
  Accessible surface: 609.359  Positive charged surface: 317.818  Negative charged surface: 291.541  Volume: 333.5
  Hydrophobic surface: 524.468  Hydrophilic surface: 84.891
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.