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CHEMSTAR-ZINC03067678

 MMsINC code: MMs01082869
Type: Neutral
Formula: C25H25FN2O2
SMILES:   Fc1ccccc1C(=O)N(C(C(=O)Nc1c(cccc1C)CC)c1ccccc1)C
InChI:   InChI=1/C25H25FN2O2/c1-4-18-14-10-11-17(2)22(18)27-24(29)23(19-12-6-5-7-13-19)28(3)25(30)20-15-8-9-16-21(20)26/h5-16,23H,4H2,1-3H3,(H,27,29)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=163.602 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.485 g/mol  logS: -6.32049  SlogP: 5.24399  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.237599  Sterimol/B1: 2.55466  Sterimol/B2: 3.17647  Sterimol/B3: 7.64978
  Sterimol/B4: 8.97309  Sterimol/L: 16.1467 
 
 Surface and Volume Properties
  Accessible surface: 661.764  Positive charged surface: 378.549  Negative charged surface: 283.215  Volume: 398.875
  Hydrophobic surface: 599.112  Hydrophilic surface: 62.652
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.