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CHEMBRIDGE-ZINC02860635

 MMsINC code: MMs00728273
Type: Neutral
Formula: C20H13FN4OS
SMILES:   S1c2n(N=C1c1oc(cc1)-c1ccc(F)cc1)c(nn2)Cc1ccccc1
InChI:   InChI=1/C20H13FN4OS/c21-15-8-6-14(7-9-15)16-10-11-17(26-16)19-24-25-18(22-23-20(25)27-19)12-13-4-2-1-3-5-13/h1-11H,12H2

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Potential Energy
Epot(MMFF94)=97.1104 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.415 g/mol  logS: -7.49204  SlogP: 4.58357  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0482823  Sterimol/B1: 2.20362  Sterimol/B2: 2.24719  Sterimol/B3: 5.18415
  Sterimol/B4: 8.50799  Sterimol/L: 17.5175 
 
 Surface and Volume Properties
  Accessible surface: 626.679  Positive charged surface: 298.305  Negative charged surface: 328.373  Volume: 332.125
  Hydrophobic surface: 543.218  Hydrophilic surface: 83.461
 
 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.