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PUBCHEM-ZINC05599853

 MMsINC code: MMs03319930
Type: Neutral
Formula: C19H23NO
SMILES:   OC1CCCN(C)C1C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C19H23NO/c1-20-14-8-13-17(21)19(20)18(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17-19,21H,8,13-14H2,1H3/t17-,19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=135.948 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.399 g/mol  logS: -3.3101  SlogP: 3.2736  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.262057  Sterimol/B1: 2.97751  Sterimol/B2: 3.39931  Sterimol/B3: 4.37297
  Sterimol/B4: 9.29463  Sterimol/L: 12.3801 
 
 Surface and Volume Properties
  Accessible surface: 499.449  Positive charged surface: 357.52  Negative charged surface: 141.929  Volume: 295.375
  Hydrophobic surface: 474.924  Hydrophilic surface: 24.525
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03319931
PUBCHEM-ZINC05599853