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ENAMINE-ZINC07006207

 MMsINC code: MMs01719454
Type: Neutral
Formula: C23H23FN2O4
SMILES:   Fc1ccc(NC(=O)C(OC(=O)c2[nH]c(C)c(C(O)C)c2C)c2ccccc2)cc1
InChI:   InChI=1/C23H23FN2O4/c1-13-19(15(3)27)14(2)25-20(13)23(29)30-21(16-7-5-4-6-8-16)22(28)26-18-11-9-17(24)10-12-18/h4-12,15,21,25,27H,1-3H3,(H,26,28)/t15-,21+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.9807 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.445 g/mol  logS: -4.99415  SlogP: 4.55174  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0846903  Sterimol/B1: 2.17744  Sterimol/B2: 5.25188  Sterimol/B3: 6.53356
  Sterimol/B4: 7.29612  Sterimol/L: 18.5653 
 
 Surface and Volume Properties
  Accessible surface: 697.085  Positive charged surface: 400.308  Negative charged surface: 296.777  Volume: 386
  Hydrophobic surface: 554.359  Hydrophilic surface: 142.726
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.