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CHEMBLOCK-ZINC04770025

 MMsINC code: MMs00577931
Type: Neutral
Formula: C18H14Cl2FN3O2
SMILES:   Clc1cc(Cl)ccc1Cn1nc(NC(=O)COc2ccc(F)cc2)cc1
InChI:   InChI=1/C18H14Cl2FN3O2/c19-13-2-1-12(16(20)9-13)10-24-8-7-17(23-24)22-18(25)11-26-15-5-3-14(21)4-6-15/h1-9H,10-11H2,(H,22,23,25)

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Potential Energy
Epot(MMFF94)=70.8655 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.233 g/mol  logS: -5.60446  SlogP: 4.6612  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0415285  Sterimol/B1: 3.55814  Sterimol/B2: 3.98298  Sterimol/B3: 4.21953
  Sterimol/B4: 6.42519  Sterimol/L: 19.1446 
 
 Surface and Volume Properties
  Accessible surface: 633.974  Positive charged surface: 297.801  Negative charged surface: 336.173  Volume: 334.875
  Hydrophobic surface: 530.198  Hydrophilic surface: 103.776
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.