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ENAMINE-ZINC03336877

 MMsINC code: MMs01380429
Type: Neutral
Formula: C20H23FN2O2
SMILES:   Fc1ccc(cc1)C(N1CCOCC1)CNC(=O)c1cc(ccc1)C
InChI:   InChI=1/C20H23FN2O2/c1-15-3-2-4-17(13-15)20(24)22-14-19(23-9-11-25-12-10-23)16-5-7-18(21)8-6-16/h2-8,13,19H,9-12,14H2,1H3,(H,22,24)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=113.859 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.414 g/mol  logS: -4.25718  SlogP: 3.03292  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0921734  Sterimol/B1: 3.02022  Sterimol/B2: 4.02451  Sterimol/B3: 4.45534
  Sterimol/B4: 6.60893  Sterimol/L: 17.2117 
 
 Surface and Volume Properties
  Accessible surface: 598.352  Positive charged surface: 384.447  Negative charged surface: 213.905  Volume: 333.875
  Hydrophobic surface: 545.589  Hydrophilic surface: 52.763
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs01380430
ENAMINE-ZINC03336877