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NCID-ZINC01668847

 MMsINC code: MMs02304922
Type: Neutral
Formula: C18H23NO
SMILES:   OCCN(C(Cc1ccccc1)c1ccccc1)CC
InChI:   InChI=1/C18H23NO/c1-2-19(13-14-20)18(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16/h3-12,18,20H,2,13-15H2,1H3/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=254.679 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.388 g/mol  logS: -3.21037  SlogP: 3.38007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.274146  Sterimol/B1: 2.45223  Sterimol/B2: 4.14651  Sterimol/B3: 4.20047
  Sterimol/B4: 7.11446  Sterimol/L: 14.2284 
 
 Surface and Volume Properties
  Accessible surface: 497.487  Positive charged surface: 331.788  Negative charged surface: 165.699  Volume: 288.625
  Hydrophobic surface: 451.194  Hydrophilic surface: 46.293
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02304923
NCID-ZINC01668847