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ENAMINE-ZINC03204551

 MMsINC code: MMs01305413
Type: Neutral
Formula: C18H12ClF4N3O
SMILES:   Clc1ccc(cc1-n1nc(cc1NC(=O)c1ccc(F)cc1)C)C(F)(F)F
InChI:   InChI=1/C18H12ClF4N3O/c1-10-8-16(24-17(27)11-2-5-13(20)6-3-11)26(25-10)15-9-12(18(21,22)23)4-7-14(15)19/h2-9H,1H3,(H,24,27)

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Potential Energy
Epot(MMFF94)=118.309 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.759 g/mol  logS: -6.21925  SlogP: 5.55582  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0710299  Sterimol/B1: 2.25325  Sterimol/B2: 3.54533  Sterimol/B3: 4.42872
  Sterimol/B4: 10.7602  Sterimol/L: 14.2071 
 
 Surface and Volume Properties
  Accessible surface: 583.698  Positive charged surface: 217.088  Negative charged surface: 366.61  Volume: 319.25
  Hydrophobic surface: 450.45  Hydrophilic surface: 133.248
 
 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.