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


NCID-ZINC01665958

 MMsINC code: MMs02302081
Type: Neutral
Formula: C18H23NO
SMILES:   O(CCN(CC)CC)c1ccc(cc1)-c1ccccc1
InChI:   InChI=1/C18H23NO/c1-3-19(4-2)14-15-20-18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-13H,3-4,14-15H2,1-2H3

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)=89.669 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.388 g/mol  logS: -4.41395  SlogP: 4.0742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0366211  Sterimol/B1: 2.15927  Sterimol/B2: 2.73041  Sterimol/B3: 4.28421
  Sterimol/B4: 5.78192  Sterimol/L: 17.6039 
 
 Surface and Volume Properties
  Accessible surface: 555.734  Positive charged surface: 353.29  Negative charged surface: 192.208  Volume: 294.375
  Hydrophobic surface: 508.47  Hydrophilic surface: 47.264
 
 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
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02302082
NCID-ZINC01665958