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ENAMINE-ZINC06589863

 MMsINC code: MMs01680969
Type: Neutral
Formula: C18H14FN5OS
SMILES:   S(C(C(=O)c1c2c([nH]c1)cccc2)C)c1nnnn1-c1cc(F)ccc1
InChI:   InChI=1/C18H14FN5OS/c1-11(17(25)15-10-20-16-8-3-2-7-14(15)16)26-18-21-22-23-24(18)13-6-4-5-12(19)9-13/h2-11,20H,1H3/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=96.074 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.408 g/mol  logS: -5.68781  SlogP: 3.6462  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0410657  Sterimol/B1: 2.32485  Sterimol/B2: 3.48476  Sterimol/B3: 4.83356
  Sterimol/B4: 6.53313  Sterimol/L: 17.7853 
 
 Surface and Volume Properties
  Accessible surface: 592.461  Positive charged surface: 254.244  Negative charged surface: 298.842  Volume: 322.125
  Hydrophobic surface: 446.011  Hydrophilic surface: 146.45
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.