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CHEMDIV-ZINC01053008

 MMsINC code: MMs00861838
Type: Neutral
Formula: C21H13Cl2F3N4O2
SMILES:   Clc1cc(Cl)ccc1NC(=O)c1nn2c(N=C(C=C2C(F)(F)F)c2ccc(OC)cc2)c1
InChI:   InChI=1/C21H13Cl2F3N4O2/c1-32-13-5-2-11(3-6-13)16-9-18(21(24,25)26)30-19(27-16)10-17(29-30)20(31)28-15-7-4-12(22)8-14(15)23/h2-10H,1H3,(H,28,31)

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Potential Energy
Epot(MMFF94)=116.167 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 481.261 g/mol  logS: -7.6948  SlogP: 6.4083  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0079685  Sterimol/B1: 3.09274  Sterimol/B2: 3.1245  Sterimol/B3: 4.14883
  Sterimol/B4: 5.98374  Sterimol/L: 23.4655 
 
 Surface and Volume Properties
  Accessible surface: 708.616  Positive charged surface: 282.643  Negative charged surface: 425.973  Volume: 382.25
  Hydrophobic surface: 529.077  Hydrophilic surface: 179.539
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.