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CHEMBLOCK-ZINC04760957

 MMsINC code: MMs00577592
Type: Neutral
Formula: C18H14Cl2FN3O
SMILES:   Clc1cc(Cl)ccc1Cn1nc(cc1NC(=O)c1ccc(F)cc1)C
InChI:   InChI=1/C18H14Cl2FN3O/c1-11-8-17(22-18(25)12-3-6-15(21)7-4-12)24(23-11)10-13-2-5-14(19)9-16(13)20/h2-9H,10H2,1H3,(H,22,25)

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Potential Energy
Epot(MMFF94)=87.4641 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.234 g/mol  logS: -5.84103  SlogP: 5.20442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0981229  Sterimol/B1: 2.34127  Sterimol/B2: 3.93315  Sterimol/B3: 4.24581
  Sterimol/B4: 10.8942  Sterimol/L: 14.971 
 
 Surface and Volume Properties
  Accessible surface: 589.794  Positive charged surface: 256.633  Negative charged surface: 333.16  Volume: 325.5
  Hydrophobic surface: 543.27  Hydrophilic surface: 46.524
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1
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Ions/Tautomers related molecules: no related molecules available.