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


ASINEX-ZINC03012449

 MMsINC code: MMs00283396
Type: Neutral
Formula: C15H19NO3
SMILES:   OC(=O)c1ccc(NC(=O)C2CCC(CC2)C)cc1
InChI:   InChI=1/C15H19NO3/c1-10-2-4-11(5-3-10)14(17)16-13-8-6-12(7-9-13)15(18)19/h6-11H,2-5H2,1H3,(H,16,17)(H,18,19)/t10-,11+

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)=56.8263 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.321 g/mol  logS: -3.92611  SlogP: 3.1496  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0867051  Sterimol/B1: 1.99533  Sterimol/B2: 3.17188  Sterimol/B3: 4.55773
  Sterimol/B4: 6.61325  Sterimol/L: 14.1799 
 
 Surface and Volume Properties
  Accessible surface: 492.053  Positive charged surface: 320.91  Negative charged surface: 171.143  Volume: 256.75
  Hydrophobic surface: 344.724  Hydrophilic surface: 147.329
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00283397
ASINEX-ZINC03012449