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


NCID-ZINC01714369

 MMsINC code: MMs02340606
Type: Neutral
Formula: C16H23NO4
SMILES:   O(C(=O)C(NC(=O)C)C(O)c1ccc(cc1)C(C)C)CC
InChI:   InChI=1/C16H23NO4/c1-5-21-16(20)14(17-11(4)18)15(19)13-8-6-12(7-9-13)10(2)3/h6-10,14-15,19H,5H2,1-4H3,(H,17,18)/t14-,15+/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)=68.8382 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.363 g/mol  logS: -3.57557  SlogP: 2.0067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0780313  Sterimol/B1: 2.45851  Sterimol/B2: 2.86763  Sterimol/B3: 4.59484
  Sterimol/B4: 7.81435  Sterimol/L: 16.6974 
 
 Surface and Volume Properties
  Accessible surface: 571.761  Positive charged surface: 371.675  Negative charged surface: 200.086  Volume: 296.5
  Hydrophobic surface: 410.073  Hydrophilic surface: 161.688
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.