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


ASINEX-ZINC02308303

 MMsINC code: MMs00268470
Type: Neutral
Formula: C15H25N5O2
SMILES:   O=C1NC(=O)N(c2nc(n(c12)CCC(C)C)NCCCC)C
InChI:   InChI=1/C15H25N5O2/c1-5-6-8-16-14-17-12-11(20(14)9-7-10(2)3)13(21)18-15(22)19(12)4/h10H,5-9H2,1-4H3,(H,16,17)(H,18,21,22)

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)=-27.1665 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.398 g/mol  logS: -3.79614  SlogP: 2.7072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0644933  Sterimol/B1: 3.04648  Sterimol/B2: 3.49579  Sterimol/B3: 5.47746
  Sterimol/B4: 8.14276  Sterimol/L: 14.6392 
 
 Surface and Volume Properties
  Accessible surface: 588.148  Positive charged surface: 452.369  Negative charged surface: 135.779  Volume: 306.625
  Hydrophobic surface: 380.738  Hydrophilic surface: 207.41
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: no related molecules available.