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


NCID-ZINC01650373

 MMsINC code: MMs02290083
Type: Neutral
Formula: C14H25N3
SMILES:   N(Cc1ccccc1)(CCCCN)CCCN
InChI:   InChI=1/C14H25N3/c15-9-4-5-11-17(12-6-10-16)13-14-7-2-1-3-8-14/h1-3,7-8H,4-6,9-13,15-16H2

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)=29.8107 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.375 g/mol  logS: -1.24436  SlogP: 1.8427  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0967478  Sterimol/B1: 2.55539  Sterimol/B2: 2.88292  Sterimol/B3: 4.17484
  Sterimol/B4: 9.06349  Sterimol/L: 14.6705 
 
 Surface and Volume Properties
  Accessible surface: 531.802  Positive charged surface: 414.327  Negative charged surface: 117.474  Volume: 267.5
  Hydrophobic surface: 392.008  Hydrophilic surface: 139.794
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs02290084
NCID-ZINC01650373