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ASINEX-ZINC00860252

 MMsINC code: MMs00196756
Type: Neutral
Formula: C19H18ClF3N2O
SMILES:   Clc1cc(ccc1)C(=O)N1CCN(CC1)Cc1ccccc1C(F)(F)F
InChI:   InChI=1/C19H18ClF3N2O/c20-16-6-3-5-14(12-16)18(26)25-10-8-24(9-11-25)13-15-4-1-2-7-17(15)19(21,22)23/h1-7,12H,8-11,13H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.769 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.813 g/mol  logS: -5.03049  SlogP: 4.8947  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107981  Sterimol/B1: 2.68294  Sterimol/B2: 2.74831  Sterimol/B3: 5.2846
  Sterimol/B4: 7.43625  Sterimol/L: 14.7367 
 
 Surface and Volume Properties
  Accessible surface: 582.093  Positive charged surface: 290.336  Negative charged surface: 291.757  Volume: 330.625
  Hydrophobic surface: 467.755  Hydrophilic surface: 114.338
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00196757
ASINEX-ZINC00860252