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


ANALYTICONDISCOVERY-ZINC04260096

 MMsINC code: MMs00034237
Type: Neutral
Formula: C15H23N3O3
SMILES:   O=C1N2C(CN(CC2)C(=O)C2CCCCC2)C(=O)NC1C
InChI:   InChI=1/C15H23N3O3/c1-10-14(20)18-8-7-17(9-12(18)13(19)16-10)15(21)11-5-3-2-4-6-11/h10-12H,2-9H2,1H3,(H,16,19)/t10-,12+/m0/s1

Download   format file 
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)=114.816 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.367 g/mol  logS: -2.37568  SlogP: 0.1244  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0827515  Sterimol/B1: 2.9763  Sterimol/B2: 3.57236  Sterimol/B3: 4.13153
  Sterimol/B4: 4.89265  Sterimol/L: 15.4036 
 
 Surface and Volume Properties
  Accessible surface: 509.057  Positive charged surface: 372.959  Negative charged surface: 136.098  Volume: 278.875
  Hydrophobic surface: 358.239  Hydrophilic surface: 150.818
 
 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.