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


PUBCHEM-ZINC06821278

 MMsINC code: MMs03867627
Type: Neutral
Formula: C19H30N2O3
SMILES:   O(C)c1cc(OC)ccc1CN1CCC(CC1)C(=O)NC(CC)C
InChI:   InChI=1/C19H30N2O3/c1-5-14(2)20-19(22)15-8-10-21(11-9-15)13-16-6-7-17(23-3)12-18(16)24-4/h6-7,12,14-15H,5,8-11,13H2,1-4H3,(H,20,22)/t14-/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)=58.966 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.46 g/mol  logS: -2.69471  SlogP: 3.0969  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116502  Sterimol/B1: 2.94893  Sterimol/B2: 4.35364  Sterimol/B3: 5.49955
  Sterimol/B4: 5.82993  Sterimol/L: 17.0978 
 
 Surface and Volume Properties
  Accessible surface: 640.801  Positive charged surface: 516.086  Negative charged surface: 124.715  Volume: 349.5
  Hydrophobic surface: 553.485  Hydrophilic surface: 87.316
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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


MMs03867628
PUBCHEM-ZINC06821278