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IBS-ZINC05348774

 MMsINC code: MMs01943231
Type: Neutral
Formula: C23H28FNO2
SMILES:   Fc1ccc(cc1)C(CCNC(=O)c1ccccc1)C1CC(OCC1)(C)C
InChI:   InChI=1/C23H28FNO2/c1-23(2)16-19(13-15-27-23)21(17-8-10-20(24)11-9-17)12-14-25-22(26)18-6-4-3-5-7-18/h3-11,19,21H,12-16H2,1-2H3,(H,25,26)/t19-,21+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.4314 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.48 g/mol  logS: -5.15746  SlogP: 4.9346  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0836003  Sterimol/B1: 2.02839  Sterimol/B2: 2.70197  Sterimol/B3: 5.10148
  Sterimol/B4: 11.1724  Sterimol/L: 17.1054 
 
 Surface and Volume Properties
  Accessible surface: 654.472  Positive charged surface: 409.931  Negative charged surface: 244.541  Volume: 373.25
  Hydrophobic surface: 566.765  Hydrophilic surface: 87.707
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.