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ASINEX-ZINC00300417

 MMsINC code: MMs00113646
Type: Neutral
Formula: C18H23FN2O
SMILES:   Fc1ccc(cc1)C(=O)N1CCN(CC1)CC1CCC=CC1
InChI:   InChI=1/C18H23FN2O/c19-17-8-6-16(7-9-17)18(22)21-12-10-20(11-13-21)14-15-4-2-1-3-5-15/h1-2,6-9,15H,3-5,10-14H2/t15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.6832 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.393 g/mol  logS: -2.77678  SlogP: 2.9398  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.095848  Sterimol/B1: 2.94197  Sterimol/B2: 4.67765  Sterimol/B3: 4.83668
  Sterimol/B4: 4.86559  Sterimol/L: 15.2968 
 
 Surface and Volume Properties
  Accessible surface: 554.052  Positive charged surface: 377.094  Negative charged surface: 176.958  Volume: 301.25
  Hydrophobic surface: 487.659  Hydrophilic surface: 66.393
 
 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


MMs00113647
ASINEX-ZINC00300417