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


CHEMDIV-ZINC06877267

 MMsINC code: MMs01052491
Type: Neutral
Formula: C19H29N3O
SMILES:   O=C(Nc1ccc(cc1)CC)N1CCC(CC1)CN1CCCC1
InChI:   InChI=1/C19H29N3O/c1-2-16-5-7-18(8-6-16)20-19(23)22-13-9-17(10-14-22)15-21-11-3-4-12-21/h5-8,17H,2-4,9-15H2,1H3,(H,20,23)

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)=45.56 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.461 g/mol  logS: -3.39032  SlogP: 3.58867  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.037118  Sterimol/B1: 3.18102  Sterimol/B2: 3.62736  Sterimol/B3: 3.84043
  Sterimol/B4: 5.01712  Sterimol/L: 20.3025 
 
 Surface and Volume Properties
  Accessible surface: 612.887  Positive charged surface: 473.789  Negative charged surface: 139.098  Volume: 334.75
  Hydrophobic surface: 556.763  Hydrophilic surface: 56.124
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs01052492
CHEMDIV-ZINC06877267