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


PUBCHEM-ZINC01852146

 MMsINC code: MMs02826207
Type: Neutral
Formula: C18H30N2O2
SMILES:   O(CC(N(C(=O)CNC(CC)C)C)C)c1ccc(cc1C)C
InChI:   InChI=1/C18H30N2O2/c1-7-15(4)19-11-18(21)20(6)16(5)12-22-17-9-8-13(2)10-14(17)3/h8-10,15-16,19H,7,11-12H2,1-6H3/t15-,16+/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)=80.254 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.45 g/mol  logS: -3.08657  SlogP: 2.91724  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0858454  Sterimol/B1: 3.92701  Sterimol/B2: 4.60268  Sterimol/B3: 4.87053
  Sterimol/B4: 5.22377  Sterimol/L: 18.4709 
 
 Surface and Volume Properties
  Accessible surface: 620.15  Positive charged surface: 430.044  Negative charged surface: 190.106  Volume: 335.75
  Hydrophobic surface: 520.292  Hydrophilic surface: 99.858
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02826208
PUBCHEM-ZINC01852146