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


CHEMBLOCK-ZINC00094845

 MMsINC code: MMs00497063
Type: Neutral
Formula: C10H15N5O2
SMILES:   O=C1NC(=O)N(c2ncn(c12)CCN(C)C)C
InChI:   InChI=1/C10H15N5O2/c1-13(2)4-5-15-6-11-8-7(15)9(16)12-10(17)14(8)3/h6H,4-5H2,1-3H3,(H,12,16,17)

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)=-13.4371 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.263 g/mol  logS: -0.69221  SlogP: 0.0107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0750124  Sterimol/B1: 2.98113  Sterimol/B2: 3.5138  Sterimol/B3: 3.86882
  Sterimol/B4: 5.02476  Sterimol/L: 13.8512 
 
 Surface and Volume Properties
  Accessible surface: 440.615  Positive charged surface: 369.361  Negative charged surface: 71.2545  Volume: 218.625
  Hydrophobic surface: 304.908  Hydrophilic surface: 135.707
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00497064
CHEMBLOCK-ZINC00094845