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


PUBCHEM-ZINC06023234

 MMsINC code: MMs03498506
Type: Neutral
Formula: C14H20N2O3
SMILES:   OC(=O)C(NC(=O)NCC(C)C)Cc1ccccc1
InChI:   InChI=1/C14H20N2O3/c1-10(2)9-15-14(19)16-12(13(17)18)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,17,18)(H2,15,16,19)/t12-/m1/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)=16.8906 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.325 g/mol  logS: -2.16029  SlogP: 1.63747  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.10063  Sterimol/B1: 2.29741  Sterimol/B2: 4.49998  Sterimol/B3: 5.75136
  Sterimol/B4: 5.99269  Sterimol/L: 13.6435 
 
 Surface and Volume Properties
  Accessible surface: 527.831  Positive charged surface: 334.904  Negative charged surface: 192.927  Volume: 264
  Hydrophobic surface: 356.662  Hydrophilic surface: 171.169
 
 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


MMs03498507
PUBCHEM-ZINC06023234