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


PUBCHEM-ZINC03739199

 MMsINC code: MMs03065688
Type: Neutral
Formula: C13H19NO
SMILES:   O(C)c1ccc(cc1C(N)C1CC1)CC
InChI:   InChI=1/C13H19NO/c1-3-9-4-7-12(15-2)11(8-9)13(14)10-5-6-10/h4,7-8,10,13H,3,5-6,14H2,1-2H3/t13-/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)=58.8768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.301 g/mol  logS: -2.71803  SlogP: 2.76287  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134946  Sterimol/B1: 2.58525  Sterimol/B2: 2.61675  Sterimol/B3: 4.45382
  Sterimol/B4: 7.46377  Sterimol/L: 11.852 
 
 Surface and Volume Properties
  Accessible surface: 450.939  Positive charged surface: 325.078  Negative charged surface: 125.861  Volume: 227
  Hydrophobic surface: 349.658  Hydrophilic surface: 101.281
 
 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: no related molecules available.