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


CHEMBRIDGE-ZINC02823784

 MMsINC code: MMs00720196
Type: Neutral
Formula: C18H23NO
SMILES:   O(CCNC(CC)C)c1ccccc1-c1ccccc1
InChI:   InChI=1/C18H23NO/c1-3-15(2)19-13-14-20-18-12-8-7-11-17(18)16-9-5-4-6-10-16/h4-12,15,19H,3,13-14H2,1-2H3/t15-/m1/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)=65.1275 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.388 g/mol  logS: -4.48477  SlogP: 4.1205  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0698442  Sterimol/B1: 2.89057  Sterimol/B2: 3.65173  Sterimol/B3: 4.20731
  Sterimol/B4: 7.57297  Sterimol/L: 14.0685 
 
 Surface and Volume Properties
  Accessible surface: 527.486  Positive charged surface: 351.184  Negative charged surface: 171.588  Volume: 297
  Hydrophobic surface: 486.724  Hydrophilic surface: 40.762
 
 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


MMs00720197
CHEMBRIDGE-ZINC02823784