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CHEMDIV-ZINC03038952

 MMsINC code: MMs00906544
Type: Neutral
Formula: C25H29FN2O2
SMILES:   Fc1ccc(cc1)C1N(CCc2ccccc2)C(=O)CN(C1=O)C1CCCCCC1
InChI:   InChI=1/C25H29FN2O2/c26-21-14-12-20(13-15-21)24-25(30)28(22-10-6-1-2-7-11-22)18-23(29)27(24)17-16-19-8-4-3-5-9-19/h3-5,8-9,12-15,22,24H,1-2,6-7,10-11,16-18H2/t24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=141.784 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.517 g/mol  logS: -5.75115  SlogP: 4.59857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0847316  Sterimol/B1: 2.93864  Sterimol/B2: 3.38944  Sterimol/B3: 4.4387
  Sterimol/B4: 8.00684  Sterimol/L: 18.4856 
 
 Surface and Volume Properties
  Accessible surface: 660.904  Positive charged surface: 416.296  Negative charged surface: 244.608  Volume: 402.75
  Hydrophobic surface: 611.564  Hydrophilic surface: 49.34
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.