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IBS-ZINC02368778

 MMsINC code: MMs01845388
Type: Neutral
Formula: C19H13FN4S
SMILES:   Sc1nnc(n1\N=C/c1c2c(ccc1)cccc2)-c1ccccc1F
InChI:   InChI=1/C19H13FN4S/c20-17-11-4-3-10-16(17)18-22-23-19(25)24(18)21-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-12H,(H,23,25)/b21-12-

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Potential Energy
Epot(MMFF94)=171.543 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.405 g/mol  logS: -8.36277  SlogP: 4.4083  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159145  Sterimol/B1: 3.36505  Sterimol/B2: 3.47452  Sterimol/B3: 5.51244
  Sterimol/B4: 6.15002  Sterimol/L: 14.9284 
 
 Surface and Volume Properties
  Accessible surface: 535.312  Positive charged surface: 247.177  Negative charged surface: 283.386  Volume: 312.25
  Hydrophobic surface: 415.811  Hydrophilic surface: 119.501
 
 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.