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


ASINEX-ZINC02219827

 MMsINC code: MMs00265638
Type: Neutral
Formula: C18H27N5O4
SMILES:   O1C(CN(CC1C)Cc1nc2N(C)C(=O)N(C)C(=O)c2n1C(C(=O)C)C)C
InChI:   InChI=1/C18H27N5O4/c1-10-7-22(8-11(2)27-10)9-14-19-16-15(23(14)12(3)13(4)24)17(25)21(6)18(26)20(16)5/h10-12H,7-9H2,1-6H3/t10-,11+,12-/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)=46.0697 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.445 g/mol  logS: -2.00342  SlogP: 1.646  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129787  Sterimol/B1: 3.53839  Sterimol/B2: 4.25826  Sterimol/B3: 5.33472
  Sterimol/B4: 6.62267  Sterimol/L: 15.8923 
 
 Surface and Volume Properties
  Accessible surface: 631.915  Positive charged surface: 488.937  Negative charged surface: 142.978  Volume: 359
  Hydrophobic surface: 469.76  Hydrophilic surface: 162.155
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs00265639
ASINEX-ZINC02219827