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CHEMBLOCK-ZINC04686572

 MMsINC code: MMs00568749
Type: Neutral
Formula: C23H25FN2O2
SMILES:   Fc1ccc(NC(=O)c2ccccc2NC(=O)C2C(C)(C)C2C=C(C)C)cc1
InChI:   InChI=1/C23H25FN2O2/c1-14(2)13-18-20(23(18,3)4)22(28)26-19-8-6-5-7-17(19)21(27)25-16-11-9-15(24)10-12-16/h5-13,18,20H,1-4H3,(H,25,27)(H,26,28)/t18-,20+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.504 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.463 g/mol  logS: -6.52988  SlogP: 5.2549  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0519549  Sterimol/B1: 3.31364  Sterimol/B2: 4.27923  Sterimol/B3: 6.49648
  Sterimol/B4: 6.83603  Sterimol/L: 18.1697 
 
 Surface and Volume Properties
  Accessible surface: 673.414  Positive charged surface: 390.981  Negative charged surface: 282.433  Volume: 379.375
  Hydrophobic surface: 617.601  Hydrophilic surface: 55.813
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.