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


NCID-ZINC01869833

 MMsINC code: MMs02375864
Type: Neutral
Formula: C13H20N2O3
SMILES:   Oc1ccc(cc1NC=O)C(O)CNC(C)(C)C
InChI:   InChI=1/C13H20N2O3/c1-13(2,3)15-7-12(18)9-4-5-11(17)10(6-9)14-8-16/h4-6,8,12,15,17-18H,7H2,1-3H3,(H,14,16)/t12-/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)=74.1325 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.314 g/mol  logS: -1.64089  SlogP: 1.4775  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.092238  Sterimol/B1: 2.22604  Sterimol/B2: 3.17798  Sterimol/B3: 4.93461
  Sterimol/B4: 6.01773  Sterimol/L: 14.0462 
 
 Surface and Volume Properties
  Accessible surface: 497.753  Positive charged surface: 338.412  Negative charged surface: 159.341  Volume: 251.625
  Hydrophobic surface: 268.737  Hydrophilic surface: 229.016
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02375865
NCID-ZINC01869833