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


PUBCHEM-ZINC05763223

 MMsINC code: MMs03376499
Type: Neutral
Formula: C17H35N5O5
SMILES:   O1C(OC2CC(N)C(OC)C(N(C(=O)CN)C)C2O)C(N)CCC1C(N)C
InChI:   InChI=1/C17H35N5O5/c1-8(19)11-5-4-9(20)17(26-11)27-12-6-10(21)16(25-3)14(15(12)24)22(2)13(23)7-18/h8-12,14-17,24H,4-7,18-21H2,1-3H3/t8-,9-,10-,11-,12+,14+,15+,16-,17-/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)=136.849 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.497 g/mol  logS: 0.24113  SlogP: -2.5562  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.166181  Sterimol/B1: 2.29494  Sterimol/B2: 4.10047  Sterimol/B3: 6.98224
  Sterimol/B4: 7.29616  Sterimol/L: 14.7825 
 
 Surface and Volume Properties
  Accessible surface: 647.609  Positive charged surface: 551.497  Negative charged surface: 96.1112  Volume: 373.875
  Hydrophobic surface: 370.807  Hydrophilic surface: 276.802
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 9
 
 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


MMs03376500
PUBCHEM-ZINC05763223