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


ASINEX-ZINC00807424

 MMsINC code: MMs00173467
Type: Neutral
Formula: C15H20N2O3
SMILES:   O(C(=O)c1ncccc1)CC(=O)NC1CCCCC1C
InChI:   InChI=1/C15H20N2O3/c1-11-6-2-3-7-12(11)17-14(18)10-20-15(19)13-8-4-5-9-16-13/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H,17,18)/t11-,12-/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)=60.8984 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.336 g/mol  logS: -2.50687  SlogP: 1.9333  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0455201  Sterimol/B1: 2.16976  Sterimol/B2: 2.46353  Sterimol/B3: 4.54998
  Sterimol/B4: 6.23916  Sterimol/L: 17.2324 
 
 Surface and Volume Properties
  Accessible surface: 543.516  Positive charged surface: 378.469  Negative charged surface: 165.047  Volume: 274.25
  Hydrophobic surface: 422.547  Hydrophilic surface: 120.969
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.