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ENAMINE-ZINC06590215

 MMsINC code: MMs01681364
Type: Neutral
Formula: C19H15FN4OS
SMILES:   S(CCn1ccnc1)C1=Nc2c(cccc2)C(=O)N1c1ccc(F)cc1
InChI:   InChI=1/C19H15FN4OS/c20-14-5-7-15(8-6-14)24-18(25)16-3-1-2-4-17(16)22-19(24)26-12-11-23-10-9-21-13-23/h1-10,13H,11-12H2

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Potential Energy
Epot(MMFF94)=71.9799 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.42 g/mol  logS: -5.54471  SlogP: 4.3699  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0853982  Sterimol/B1: 2.55112  Sterimol/B2: 3.65863  Sterimol/B3: 3.7357
  Sterimol/B4: 11.3898  Sterimol/L: 14.3927 
 
 Surface and Volume Properties
  Accessible surface: 610.032  Positive charged surface: 368.973  Negative charged surface: 241.059  Volume: 328
  Hydrophobic surface: 513.975  Hydrophilic surface: 96.057
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.