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CHEMBRIDGE-ZINC01226042

 MMsINC code: MMs00690652
Type: Neutral
Formula: C18H12ClF3N2O
SMILES:   Clc1ccc(cc1NC(=O)Nc1c2c(ccc1)cccc2)C(F)(F)F
InChI:   InChI=1/C18H12ClF3N2O/c19-14-9-8-12(18(20,21)22)10-16(14)24-17(25)23-15-7-3-5-11-4-1-2-6-13(11)15/h1-10H,(H2,23,24,25)

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Potential Energy
Epot(MMFF94)=95.8959 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.754 g/mol  logS: -6.92077  SlogP: 6.4675  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0151196  Sterimol/B1: 2.44839  Sterimol/B2: 2.95991  Sterimol/B3: 4.80273
  Sterimol/B4: 5.99488  Sterimol/L: 16.1946 
 
 Surface and Volume Properties
  Accessible surface: 563.88  Positive charged surface: 217.218  Negative charged surface: 336.305  Volume: 301.625
  Hydrophobic surface: 417.789  Hydrophilic surface: 146.091
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.