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PUBCHEM-ZINC01410671

 MMsINC code: MMs02801955
Type: Neutral
Formula: C25H25FN2O3
SMILES:   Fc1ccccc1CN(C(C(=O)Nc1ccc(OC)cc1)C)C(=O)Cc1ccccc1
InChI:   InChI=1/C25H25FN2O3/c1-18(25(30)27-21-12-14-22(31-2)15-13-21)28(17-20-10-6-7-11-23(20)26)24(29)16-19-8-4-3-5-9-19/h3-15,18H,16-17H2,1-2H3,(H,27,30)/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=149.399 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.484 g/mol  logS: -5.92339  SlogP: 4.69917  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0756434  Sterimol/B1: 2.10743  Sterimol/B2: 3.99478  Sterimol/B3: 5.61472
  Sterimol/B4: 8.7212  Sterimol/L: 18.7479 
 
 Surface and Volume Properties
  Accessible surface: 693.024  Positive charged surface: 428.427  Negative charged surface: 264.598  Volume: 402.5
  Hydrophobic surface: 613.793  Hydrophilic surface: 79.231
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.