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


CHEMBRIDGE-ZINC02769959

 MMsINC code: MMs00716064
Type: Neutral
Formula: C16H23NO3
SMILES:   OC(=O)CCC(=O)NC(C)c1ccc(cc1)C(CC)C
InChI:   InChI=1/C16H23NO3/c1-4-11(2)13-5-7-14(8-6-13)12(3)17-15(18)9-10-16(19)20/h5-8,11-12H,4,9-10H2,1-3H3,(H,17,18)(H,19,20)/t11-,12-/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)=27.6043 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.364 g/mol  logS: -3.63748  SlogP: 3.3376  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.053364  Sterimol/B1: 2.57204  Sterimol/B2: 3.0653  Sterimol/B3: 3.83758
  Sterimol/B4: 7.07241  Sterimol/L: 17.5067 
 
 Surface and Volume Properties
  Accessible surface: 562.398  Positive charged surface: 366.657  Negative charged surface: 195.741  Volume: 287.25
  Hydrophobic surface: 366.138  Hydrophilic surface: 196.26
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs00716065
CHEMBRIDGE-ZINC02769959