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ENAMINE-ZINC03259302

 MMsINC code: MMs01335691
Type: Neutral
Formula: C19H24FN3O
SMILES:   Fc1ccc(cc1)C(=O)N1CCN(CC1)CCn1c(ccc1C)C
InChI:   InChI=1/C19H24FN3O/c1-15-3-4-16(2)23(15)14-11-21-9-12-22(13-10-21)19(24)17-5-7-18(20)8-6-17/h3-8H,9-14H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.3423 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.419 g/mol  logS: -2.52508  SlogP: 2.96844  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0642645  Sterimol/B1: 2.03726  Sterimol/B2: 3.72344  Sterimol/B3: 3.83368
  Sterimol/B4: 6.99757  Sterimol/L: 17.4444 
 
 Surface and Volume Properties
  Accessible surface: 594.53  Positive charged surface: 381.386  Negative charged surface: 213.144  Volume: 329.75
  Hydrophobic surface: 550.691  Hydrophilic surface: 43.839
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs01335692
ENAMINE-ZINC03259302