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ENAMINE-ZINC05938101

 MMsINC code: MMs01647124
Type: Neutral
Formula: C22H24F2N2O2
SMILES:   Fc1ccccc1CC(=O)NC1CCCCC1NC(=O)Cc1ccccc1F
InChI:   InChI=1/C22H24F2N2O2/c23-17-9-3-1-7-15(17)13-21(27)25-19-11-5-6-12-20(19)26-22(28)14-16-8-2-4-10-18(16)24/h1-4,7-10,19-20H,5-6,11-14H2,(H,25,27)(H,26,28)/t19-,20-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.2535 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.442 g/mol  logS: -5.1403  SlogP: 3.29354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0676003  Sterimol/B1: 2.20815  Sterimol/B2: 2.32794  Sterimol/B3: 4.97497
  Sterimol/B4: 9.40138  Sterimol/L: 18.6398 
 
 Surface and Volume Properties
  Accessible surface: 673.135  Positive charged surface: 413.253  Negative charged surface: 259.882  Volume: 368.125
  Hydrophobic surface: 615.794  Hydrophilic surface: 57.341
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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: no related molecules available.