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ASINEX-ZINC00273096

 MMsINC code: MMs00105105
Type: Neutral
Formula: C19H21FN2O
SMILES:   Fc1ccc(cc1)C(=O)N1CCN(CC1)Cc1ccccc1C
InChI:   InChI=1/C19H21FN2O/c1-15-4-2-3-5-17(15)14-21-10-12-22(13-11-21)19(23)16-6-8-18(20)9-7-16/h2-9H,10-14H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.388 g/mol  logS: -4.00855  SlogP: 3.35852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0629392  Sterimol/B1: 2.19921  Sterimol/B2: 3.21743  Sterimol/B3: 4.00907
  Sterimol/B4: 6.43286  Sterimol/L: 17.0542 
 
 Surface and Volume Properties
  Accessible surface: 558.841  Positive charged surface: 348.265  Negative charged surface: 210.576  Volume: 308.75
  Hydrophobic surface: 519.476  Hydrophilic surface: 39.365
 
 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


MMs00105106
ASINEX-ZINC00273096