logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


CHEMBRIDGE-ZINC04989521

 MMsINC code: MMs00821797
Type: Neutral
Formula: C18H23NO
SMILES:   O(C)c1ccccc1CNC(CCc1ccccc1)C
InChI:   InChI=1/C18H23NO/c1-15(12-13-16-8-4-3-5-9-16)19-14-17-10-6-7-11-18(17)20-2/h3-11,15,19H,12-14H2,1-2H3/t15-/m0/s1

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=58.6434 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.388 g/mol  logS: -3.53411  SlogP: 4.07247  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112093  Sterimol/B1: 2.22691  Sterimol/B2: 3.56127  Sterimol/B3: 4.209
  Sterimol/B4: 8.12895  Sterimol/L: 15.5614 
 
 Surface and Volume Properties
  Accessible surface: 562.692  Positive charged surface: 380.217  Negative charged surface: 182.475  Volume: 295.25
  Hydrophobic surface: 531.532  Hydrophilic surface: 31.16
 
 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
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00821798
CHEMBRIDGE-ZINC04989521