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


FDA-ZINC03830243

 MMsINC code: MMs01726025
Type: Neutral
Formula: C15H32N4O5
SMILES:   O1C(OC2C(N)C(O)C(OC)C(NC)C2O)C(N)CCC1C(N)C
InChI:   InChI=1/C15H32N4O5/c1-6(16)8-5-4-7(17)15(23-8)24-13-9(18)11(20)14(22-3)10(19-2)12(13)21/h6-15,19-21H,4-5,16-18H2,1-3H3/t6-,7-,8+,9+,10+,11-,12-,13+,14+,15-/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)=135.894 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.444 g/mol  logS: 0.63644  SlogP: -2.7831  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153073  Sterimol/B1: 2.25001  Sterimol/B2: 3.42237  Sterimol/B3: 5.12803
  Sterimol/B4: 8.00432  Sterimol/L: 13.6651 
 
 Surface and Volume Properties
  Accessible surface: 569.431  Positive charged surface: 494.531  Negative charged surface: 74.8992  Volume: 338.375
  Hydrophobic surface: 340.968  Hydrophilic surface: 228.463
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 10
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs01726026
FDA-ZINC03830243