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CHEMBRIDGE-ZINC02860625

 MMsINC code: MMs00728266
Type: Neutral
Formula: C19H11FN4OS
SMILES:   S1c2n(N=C1c1oc(cc1)-c1ccc(F)cc1)c(nn2)-c1ccccc1
InChI:   InChI=1/C19H11FN4OS/c20-14-8-6-12(7-9-14)15-10-11-16(25-15)18-23-24-17(21-22-19(24)26-18)13-4-2-1-3-5-13/h1-11H

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Potential Energy
Epot(MMFF94)=99.5976 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.388 g/mol  logS: -8.54295  SlogP: 4.6598  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00213953  Sterimol/B1: 2.38498  Sterimol/B2: 2.40497  Sterimol/B3: 2.52865
  Sterimol/B4: 8.82444  Sterimol/L: 17.2896 
 
 Surface and Volume Properties
  Accessible surface: 596.725  Positive charged surface: 267.998  Negative charged surface: 328.728  Volume: 318.75
  Hydrophobic surface: 511.991  Hydrophilic surface: 84.734
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.