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PUBCHEM-ZINC00241146

 MMsINC code: MMs02644727
Type: Neutral
Formula: C19H23FN2
SMILES:   Fc1ccc(N2CCN(CC2)Cc2ccc(cc2)CC)cc1
InChI:   InChI=1/C19H23FN2/c1-2-16-3-5-17(6-4-16)15-21-11-13-22(14-12-21)19-9-7-18(20)8-10-19/h3-10H,2,11-15H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=133.442 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.405 g/mol  logS: -4.41104  SlogP: 3.97667  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.066792  Sterimol/B1: 3.34605  Sterimol/B2: 3.67384  Sterimol/B3: 3.95237
  Sterimol/B4: 5.43366  Sterimol/L: 18.2015 
 
 Surface and Volume Properties
  Accessible surface: 562.052  Positive charged surface: 375.226  Negative charged surface: 186.826  Volume: 310.5
  Hydrophobic surface: 521.167  Hydrophilic surface: 40.885
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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


MMs02644728
PUBCHEM-ZINC00241146