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


MAYBRIDGE-ZINC00160405

 MMsINC code: MMs02144045
Type: Neutral
Formula: C7H15NO2
SMILES:   OC(=O)C(NC)CC(C)C
InChI:   InChI=1/C7H15NO2/c1-5(2)4-6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t6-/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)=24.6877 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 145.202 g/mol  logS: -0.91274  SlogP: 0.7051  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.236445  Sterimol/B1: 2.55016  Sterimol/B2: 3.98174  Sterimol/B3: 4.06377
  Sterimol/B4: 4.31113  Sterimol/L: 9.76175 
 
 Surface and Volume Properties
  Accessible surface: 351.775  Positive charged surface: 260.134  Negative charged surface: 91.6403  Volume: 154.75
  Hydrophobic surface: 208.972  Hydrophilic surface: 142.803
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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: no related molecules available.