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


NCID-ZINC01698288

 MMsINC code: MMs02328635
Type: Neutral
Formula: C14H20ClNO
SMILES:   Clc1ccc(cc1)C(N1CCCCC1)CCO
InChI:   InChI=1/C14H20ClNO/c15-13-6-4-12(5-7-13)14(8-11-17)16-9-2-1-3-10-16/h4-7,14,17H,1-3,8-11H2/t14-/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)=52.2509 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.773 g/mol  logS: -2.744  SlogP: 3.3449  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.324262  Sterimol/B1: 2.8683  Sterimol/B2: 4.86866  Sterimol/B3: 5.14584
  Sterimol/B4: 5.44804  Sterimol/L: 12.0505 
 
 Surface and Volume Properties
  Accessible surface: 474.325  Positive charged surface: 308.022  Negative charged surface: 166.302  Volume: 253.375
  Hydrophobic surface: 420.385  Hydrophilic surface: 53.94
 
 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


MMs02328636
NCID-ZINC01698288