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


NCID-ZINC01657268

 MMsINC code: MMs02295436
Type: Neutral
Formula: C7H14N2O2
SMILES:   O=C(N)CCCCCC(=O)N
InChI:   InChI=1/C7H14N2O2/c8-6(10)4-2-1-3-5-7(9)11/h1-5H2,(H2,8,10)(H2,9,11)

Download   format file 
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)=-2.99918 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.201 g/mol  logS: -0.83026  SlogP: -0.0925  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0297009  Sterimol/B1: 2.11455  Sterimol/B2: 2.37503  Sterimol/B3: 2.37609
  Sterimol/B4: 3.82427  Sterimol/L: 14.1043 
 
 Surface and Volume Properties
  Accessible surface: 375.324  Positive charged surface: 278.889  Negative charged surface: 96.4353  Volume: 157.375
  Hydrophobic surface: 158.676  Hydrophilic surface: 216.648
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.