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


PUBCHEM-ZINC03677767

 MMsINC code: MMs03039631
Type: Neutral
Formula: C15H24N2O4
SMILES:   O(CCN(C)C)c1ccc(cc1OC)C(N)C(OCC)=O
InChI:   InChI=1/C15H24N2O4/c1-5-20-15(18)14(16)11-6-7-12(13(10-11)19-4)21-9-8-17(2)3/h6-7,10,14H,5,8-9,16H2,1-4H3/t14-/m1/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)=100.736 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.367 g/mol  logS: -1.78383  SlogP: 1.294  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.170236  Sterimol/B1: 1.99756  Sterimol/B2: 2.48497  Sterimol/B3: 6.77681
  Sterimol/B4: 7.39566  Sterimol/L: 15.5025 
 
 Surface and Volume Properties
  Accessible surface: 598.866  Positive charged surface: 491.594  Negative charged surface: 107.272  Volume: 298.375
  Hydrophobic surface: 480.529  Hydrophilic surface: 118.337
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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


MMs03039632
PUBCHEM-ZINC03677767