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ENAMINE-ZINC03296093

 MMsINC code: MMs01355940
Type: Neutral
Formula: C21H18FNO5
SMILES:   Fc1ccc(cc1)C(=O)COC(=O)c1cc2c(cc1)C(=O)N(CCCC)C2=O
InChI:   InChI=1/C21H18FNO5/c1-2-3-10-23-19(25)16-9-6-14(11-17(16)20(23)26)21(27)28-12-18(24)13-4-7-15(22)8-5-13/h4-9,11H,2-3,10,12H2,1H3

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Potential Energy
Epot(MMFF94)=63.6675 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.375 g/mol  logS: -5.75489  SlogP: 3.2615  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0184153  Sterimol/B1: 2.13513  Sterimol/B2: 3.43362  Sterimol/B3: 4.70235
  Sterimol/B4: 5.08712  Sterimol/L: 23.0802 
 
 Surface and Volume Properties
  Accessible surface: 656.782  Positive charged surface: 365.664  Negative charged surface: 291.118  Volume: 346.625
  Hydrophobic surface: 480.128  Hydrophilic surface: 176.654
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.