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


PUBCHEM-ZINC06200844

 MMsINC code: MMs03608315
Type: Neutral
Formula: C11H23N5O3
SMILES:   OC(=O)C(NC(=O)C(N)C(C)C)CCCN=C(N)N
InChI:   InChI=1/C11H23N5O3/c1-6(2)8(12)9(17)16-7(10(18)19)4-3-5-15-11(13)14/h6-8H,3-5,12H2,1-2H3,(H,16,17)(H,18,19)(H4,13,14,15)/t7-,8+/m1/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)=20.7224 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.337 g/mol  logS: -0.90514  SlogP: -1.4073  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0800636  Sterimol/B1: 2.51811  Sterimol/B2: 2.55569  Sterimol/B3: 4.16154
  Sterimol/B4: 8.98528  Sterimol/L: 13.9681 
 
 Surface and Volume Properties
  Accessible surface: 535.144  Positive charged surface: 386.552  Negative charged surface: 148.592  Volume: 265
  Hydrophobic surface: 192.064  Hydrophilic surface: 343.08
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03608316
PUBCHEM-ZINC06200844