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


FDA-ZINC08101138

 MMsINC code: MMs01727673
Type: Neutral
Formula: C18H37N5O10
SMILES:   O1C(CN)C(O)C(O)C(N)C1OC1C(O)C(OC2OC(CO)C(O)C(N)C2O)C(N)CC1N
InChI:   InChI=1/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6-,7-,8+,9+,10+,11+,12-,13+,14-,15+,16+,17+,18+/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)=194.196 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 483.519 g/mol  logS: 2.18759  SlogP: -7.325  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.177825  Sterimol/B1: 2.4313  Sterimol/B2: 3.59818  Sterimol/B3: 5.661
  Sterimol/B4: 9.08111  Sterimol/L: 15.8205 
 
 Surface and Volume Properties
  Accessible surface: 704.511  Positive charged surface: 588.236  Negative charged surface: 116.275  Volume: 422.375
  Hydrophobic surface: 259.943  Hydrophilic surface: 444.568
 
 Pharmacophoric Properties
  Hydrogen bond donors: 11  Hydrogen bond acceptors: 15  Acid groups: 0  Basic groups: 0
  Chiral centers: 15
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs01727674
FDA-ZINC08101138