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


PUBCHEM-ZINC05430700

 MMsINC code: MMs03267762
Type: Neutral
Formula: C15H22N2O2
SMILES:   O=C(N(CCC)CCC)c1ccc(NC(=O)C)cc1
InChI:   InChI=1/C15H22N2O2/c1-4-10-17(11-5-2)15(19)13-6-8-14(9-7-13)16-12(3)18/h6-9H,4-5,10-11H2,1-3H3,(H,16,18)

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)=68.9384 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.353 g/mol  logS: -2.69243  SlogP: 2.9072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0528405  Sterimol/B1: 2.65095  Sterimol/B2: 2.76711  Sterimol/B3: 3.66737
  Sterimol/B4: 7.29265  Sterimol/L: 16.1373 
 
 Surface and Volume Properties
  Accessible surface: 524.864  Positive charged surface: 346.162  Negative charged surface: 178.702  Volume: 275.25
  Hydrophobic surface: 401.051  Hydrophilic surface: 123.813
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.