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


MICROSOURCE-ZINC03872321

 MMsINC code: MMs02188143
Type: Neutral
Formula: C17H31N3O4
SMILES:   OC(=O)C(NC(=O)C1N(CCC1)C(=O)C(N)C(CC)C)C(CC)C
InChI:   InChI=1/C17H31N3O4/c1-5-10(3)13(18)16(22)20-9-7-8-12(20)15(21)19-14(17(23)24)11(4)6-2/h10-14H,5-9,18H2,1-4H3,(H,19,21)(H,23,24)/t10-,11-,12+,13+,14-/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)=107.666 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.452 g/mol  logS: -2.56121  SlogP: 0.9663  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0771501  Sterimol/B1: 2.06895  Sterimol/B2: 3.82969  Sterimol/B3: 5.39118
  Sterimol/B4: 6.70889  Sterimol/L: 17.5329 
 
 Surface and Volume Properties
  Accessible surface: 604.719  Positive charged surface: 437.819  Negative charged surface: 166.9  Volume: 343.5
  Hydrophobic surface: 385.22  Hydrophilic surface: 219.499
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.