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PUBCHEM-ZINC02034949

 MMsINC code: MMs02860800
Type: Neutral
Formula: C21H25FN2O2
SMILES:   Fc1ccccc1NC(=O)N(CC(O)c1ccccc1)C1CCCCC1
InChI:   InChI=1/C21H25FN2O2/c22-18-13-7-8-14-19(18)23-21(26)24(17-11-5-2-6-12-17)15-20(25)16-9-3-1-4-10-16/h1,3-4,7-10,13-14,17,20,25H,2,5-6,11-12,15H2,(H,23,26)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.366 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.441 g/mol  logS: -4.65368  SlogP: 4.8214  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0673235  Sterimol/B1: 3.6792  Sterimol/B2: 3.87236  Sterimol/B3: 5.32313
  Sterimol/B4: 7.17454  Sterimol/L: 16.6692 
 
 Surface and Volume Properties
  Accessible surface: 600.991  Positive charged surface: 371.05  Negative charged surface: 229.941  Volume: 347
  Hydrophobic surface: 564.217  Hydrophilic surface: 36.774
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.