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


PUBCHEM-ZINC05912045

 MMsINC code: MMs03441453
Type: Neutral
Formula: C17H22N2
SMILES:   N(C)(C)c1ccc(cc1)CNC(C)c1ccccc1
InChI:   InChI=1/C17H22N2/c1-14(16-7-5-4-6-8-16)18-13-15-9-11-17(12-10-15)19(2)3/h4-12,14,18H,13H2,1-3H3/t14-/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)=73.7616 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.377 g/mol  logS: -3.1479  SlogP: 3.9653  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0846884  Sterimol/B1: 2.27477  Sterimol/B2: 3.48893  Sterimol/B3: 4.01557
  Sterimol/B4: 6.62163  Sterimol/L: 16.0623 
 
 Surface and Volume Properties
  Accessible surface: 543.713  Positive charged surface: 379.118  Negative charged surface: 164.596  Volume: 285
  Hydrophobic surface: 510.079  Hydrophilic surface: 33.634
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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


MMs03441454
PUBCHEM-ZINC05912045