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


OAKWOOD-ZINC04290581

 MMsINC code: MMs02551162
Type: Neutral
Formula: C10H20N2O2
SMILES:   O(C(C)(C)C)C(=O)N(C)C1CCNC1
InChI:   InChI=1/C10H20N2O2/c1-10(2,3)14-9(13)12(4)8-5-6-11-7-8/h8,11H,5-7H2,1-4H3/t8-/m0/s1

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)=32.1226 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: -0.83312  SlogP: 1.2152  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131036  Sterimol/B1: 2.24719  Sterimol/B2: 2.47992  Sterimol/B3: 4.6878
  Sterimol/B4: 4.86645  Sterimol/L: 12.9077 
 
 Surface and Volume Properties
  Accessible surface: 431.442  Positive charged surface: 343.384  Negative charged surface: 88.0577  Volume: 212.875
  Hydrophobic surface: 327.251  Hydrophilic surface: 104.191
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs02551163
OAKWOOD-ZINC04290581