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PUBCHEM-ZINC06620946

 MMsINC code: MMs03823923
Type: Tautomer
Formula: C23H24FNO5
SMILES:   Fc1ccc(cc1)C(=O)C1C(N(CCOC)C(=O)C1=O)c1cc(OCCC)ccc1
InChI:   InChI=1/C23H24FNO5/c1-3-12-30-18-6-4-5-16(14-18)20-19(21(26)15-7-9-17(24)10-8-15)22(27)23(28)25(20)11-13-29-2/h4-10,14,19-20H,3,11-13H2,1-2H3/t19-,20-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=108.208 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.445 g/mol  logS: -4.77792  SlogP: 3.3079  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158755  Sterimol/B1: 2.82447  Sterimol/B2: 3.90663  Sterimol/B3: 4.27419
  Sterimol/B4: 8.51707  Sterimol/L: 15.3173 
 
 Surface and Volume Properties
  Accessible surface: 636.164  Positive charged surface: 423.285  Negative charged surface: 212.879  Volume: 384.125
  Hydrophobic surface: 511.521  Hydrophilic surface: 124.643
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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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Parent related molecule:


MMs03823922
PUBCHEM-ZINC06620946