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PUBCHEM-ZINC00757634

 MMsINC code: MMs02737811
Type: Neutral
Formula: C18H23FN2
SMILES:   Fc1ccc(cc1)CN(Cc1ccccc1)CCN(C)C
InChI:   InChI=1/C18H23FN2/c1-20(2)12-13-21(14-16-6-4-3-5-7-16)15-17-8-10-18(19)11-9-17/h3-11H,12-15H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.6242 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.394 g/mol  logS: -3.2171  SlogP: 3.9223  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.196438  Sterimol/B1: 2.68907  Sterimol/B2: 2.73644  Sterimol/B3: 4.83702
  Sterimol/B4: 8.7751  Sterimol/L: 14.0561 
 
 Surface and Volume Properties
  Accessible surface: 559.771  Positive charged surface: 380.417  Negative charged surface: 179.354  Volume: 302.25
  Hydrophobic surface: 546.494  Hydrophilic surface: 13.277
 
 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


MMs02737812
PUBCHEM-ZINC00757634