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


AURORAFEINCHEMIE-ZINC04089278

 MMsINC code: MMs00468384
Type: Neutral
Formula: C10H18N2O3
SMILES:   OC(=O)C(NC(=O)NC1CC1)CC(C)C
InChI:   InChI=1/C10H18N2O3/c1-6(2)5-8(9(13)14)12-10(15)11-7-3-4-7/h6-8H,3-5H2,1-2H3,(H,13,14)(H2,11,12,15)/t8-/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)=12.2224 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.265 g/mol  logS: -1.71197  SlogP: 0.9473  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.102755  Sterimol/B1: 2.52209  Sterimol/B2: 2.55989  Sterimol/B3: 4.2437
  Sterimol/B4: 7.23974  Sterimol/L: 13.1718 
 
 Surface and Volume Properties
  Accessible surface: 457.911  Positive charged surface: 305.242  Negative charged surface: 152.669  Volume: 213.875
  Hydrophobic surface: 233.629  Hydrophilic surface: 224.282
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00468385
AURORAFEINCHEMIE-ZINC04089278