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CHEMBLOCK-ZINC00709588

 MMsINC code: MMs00507166
Type: Neutral
Formula: C24H24FNO4
SMILES:   Fc1ccc(cc1)C(=O)NC(c1cc(OC)c(OC)cc1)c1ccc(OCC)cc1
InChI:   InChI=1/C24H24FNO4/c1-4-30-20-12-7-16(8-13-20)23(18-9-14-21(28-2)22(15-18)29-3)26-24(27)17-5-10-19(25)11-6-17/h5-15,23H,4H2,1-3H3,(H,26,27)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=113.792 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.457 g/mol  logS: -5.84014  SlogP: 4.8565  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.239071  Sterimol/B1: 4.51974  Sterimol/B2: 4.98083  Sterimol/B3: 6.50408
  Sterimol/B4: 8.29478  Sterimol/L: 16.4268 
 
 Surface and Volume Properties
  Accessible surface: 711.941  Positive charged surface: 464.833  Negative charged surface: 247.108  Volume: 392.5
  Hydrophobic surface: 634.099  Hydrophilic surface: 77.842
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.