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


NANOSIN-ZINC04718466

 MMsINC code: MMs02209634
Type: Neutral
Formula: C16H24N6O4
SMILES:   O1C(CO)C(O)C(O)C1n1c2ncnc(N)c2nc1NC1CCCCC1
InChI:   InChI=1/C16H24N6O4/c17-13-10-14(19-7-18-13)22(15-12(25)11(24)9(6-23)26-15)16(21-10)20-8-4-2-1-3-5-8/h7-9,11-12,15,23-25H,1-6H2,(H,20,21)(H2,17,18,19)/t9-,11+,12+,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)=93.1477 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.406 g/mol  logS: -2.83202  SlogP: -0.1399  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138564  Sterimol/B1: 3.54267  Sterimol/B2: 3.65367  Sterimol/B3: 4.06083
  Sterimol/B4: 9.16996  Sterimol/L: 14.0812 
 
 Surface and Volume Properties
  Accessible surface: 591.376  Positive charged surface: 477.466  Negative charged surface: 113.91  Volume: 328.75
  Hydrophobic surface: 312.765  Hydrophilic surface: 278.611
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs02209635
NANOSIN-ZINC04718466