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


CHEMBLOCK-ZINC00140725

 MMsINC code: MMs00501527
Type: Neutral
Formula: C18H20N2O
SMILES:   O(Cc1ccccc1)c1cc2c([nH]c(C)c2CCN)cc1
InChI:   InChI=1/C18H20N2O/c1-13-16(9-10-19)17-11-15(7-8-18(17)20-13)21-12-14-5-3-2-4-6-14/h2-8,11,20H,9-10,12,19H2,1H3

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)=58.8299 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.371 g/mol  logS: -3.53284  SlogP: 3.82289  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0499298  Sterimol/B1: 3.47992  Sterimol/B2: 3.83863  Sterimol/B3: 4.13468
  Sterimol/B4: 6.59576  Sterimol/L: 16.3964 
 
 Surface and Volume Properties
  Accessible surface: 568.475  Positive charged surface: 362.619  Negative charged surface: 200.862  Volume: 291.875
  Hydrophobic surface: 462.867  Hydrophilic surface: 105.608
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs00501528
CHEMBLOCK-ZINC00140725