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


PUBCHEM-ZINC06906784

 MMsINC code: MMs03897195
Type: Neutral
Formula: C15H26N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC(C)C)C(=O)NC1(CCC(C)C)C
InChI:   InChI=1/C15H26N4O4/c1-9(2)6-7-15(5)12(21)19(14(23)18-15)8-11(20)17-13(22)16-10(3)4/h9-10H,6-8H2,1-5H3,(H,18,23)(H2,16,17,20,22)/t15-/m1/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)=9.37432 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.397 g/mol  logS: -3.49186  SlogP: 0.9673  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0428549  Sterimol/B1: 2.91293  Sterimol/B2: 3.67577  Sterimol/B3: 4.03415
  Sterimol/B4: 4.3861  Sterimol/L: 19.8289 
 
 Surface and Volume Properties
  Accessible surface: 609.27  Positive charged surface: 416.074  Negative charged surface: 193.196  Volume: 316.5
  Hydrophobic surface: 327.601  Hydrophilic surface: 281.669
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.