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


CHEMBRIDGE-ZINC02944602

 MMsINC code: MMs00742927
Type: Neutral
Formula: C15H20ClNO
SMILES:   Clc1cc(ccc1)C1NCCC2(O)C1CCCC2
InChI:   InChI=1/C15H20ClNO/c16-12-5-3-4-11(10-12)14-13-6-1-2-7-15(13,18)8-9-17-14/h3-5,10,13-14,17-18H,1-2,6-9H2/t13-,14+,15-/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)=52.7543 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.784 g/mol  logS: -3.35344  SlogP: 3.3912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.216368  Sterimol/B1: 2.31529  Sterimol/B2: 4.15402  Sterimol/B3: 4.89423
  Sterimol/B4: 5.49294  Sterimol/L: 12.3575 
 
 Surface and Volume Properties
  Accessible surface: 464.417  Positive charged surface: 295.323  Negative charged surface: 169.094  Volume: 257.25
  Hydrophobic surface: 410.955  Hydrophilic surface: 53.462
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs00742928
CHEMBRIDGE-ZINC02944602