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CHEMBRIDGE-ZINC00645793

 MMsINC code: MMs00637760
Type: Neutral
Formula: C20H19ClF2N2O
SMILES:   Clc1cc(F)c(F)cc1C(=O)N1CCN(CC1)C\C=C\c1ccccc1
InChI:   InChI=1/C20H19ClF2N2O/c21-17-14-19(23)18(22)13-16(17)20(26)25-11-9-24(10-12-25)8-4-7-15-5-2-1-3-6-15/h1-7,13-14H,8-12H2/b7-4+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.2815 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.834 g/mol  logS: -5.06972  SlogP: 4.0894  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0501633  Sterimol/B1: 3.13112  Sterimol/B2: 3.37089  Sterimol/B3: 4.12285
  Sterimol/B4: 7.25152  Sterimol/L: 17.3748 
 
 Surface and Volume Properties
  Accessible surface: 626.367  Positive charged surface: 333.843  Negative charged surface: 292.524  Volume: 340
  Hydrophobic surface: 583.02  Hydrophilic surface: 43.347
 
 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


MMs00637761
CHEMBRIDGE-ZINC00645793