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


PUBCHEM-ZINC01851662

 MMsINC code: MMs02825925
Type: Neutral
Formula: C15H18N2O
SMILES:   O(CC)c1cc2c([nH]cc2C=2CCNCC=2)cc1
InChI:   InChI=1/C15H18N2O/c1-2-18-12-3-4-15-13(9-12)14(10-17-15)11-5-7-16-8-6-11/h3-5,9-10,16-17H,2,6-8H2,1H3

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)=41.7584 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.322 g/mol  logS: -2.33904  SlogP: 2.9433  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0656099  Sterimol/B1: 2.10165  Sterimol/B2: 3.23073  Sterimol/B3: 3.69148
  Sterimol/B4: 7.6384  Sterimol/L: 14.4201 
 
 Surface and Volume Properties
  Accessible surface: 494.669  Positive charged surface: 363.042  Negative charged surface: 127.052  Volume: 251
  Hydrophobic surface: 368.975  Hydrophilic surface: 125.694
 
 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


MMs02825926
PUBCHEM-ZINC01851662