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


NCID-ZINC01604111

 MMsINC code: MMs02256624
Type: Neutral
Formula: C10H22N2O2
SMILES:   OCCN1CC(N(CC1C)CCO)C
InChI:   InChI=1/C10H22N2O2/c1-9-7-12(4-6-14)10(2)8-11(9)3-5-13/h9-10,13-14H,3-8H2,1-2H3/t9-,10+

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)=83.0016 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.298 g/mol  logS: 0.2155  SlogP: -0.6344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108669  Sterimol/B1: 2.29077  Sterimol/B2: 2.99343  Sterimol/B3: 3.3132
  Sterimol/B4: 7.57526  Sterimol/L: 12.4317 
 
 Surface and Volume Properties
  Accessible surface: 429.593  Positive charged surface: 364.537  Negative charged surface: 65.0564  Volume: 212.75
  Hydrophobic surface: 298.051  Hydrophilic surface: 131.542
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02256625
NCID-ZINC01604111