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


PUBCHEM-ZINC03895693

 MMsINC code: MMs03083655
Type: Neutral
Formula: C20H35N3O3
SMILES:   O=C1N(CCC1)CCCNC(=O)C(NC(=O)C1CCC(CC1)C)C(C)C
InChI:   InChI=1/C20H35N3O3/c1-14(2)18(22-19(25)16-9-7-15(3)8-10-16)20(26)21-11-5-13-23-12-4-6-17(23)24/h14-16,18H,4-13H2,1-3H3,(H,21,26)(H,22,25)/t15-,16+,18-/m0/s1

Download   format file 
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)=50.2204 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.518 g/mol  logS: -3.53705  SlogP: 2.0822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0642756  Sterimol/B1: 2.31036  Sterimol/B2: 3.08456  Sterimol/B3: 4.6903
  Sterimol/B4: 9.43278  Sterimol/L: 18.652 
 
 Surface and Volume Properties
  Accessible surface: 678.552  Positive charged surface: 515.222  Negative charged surface: 163.33  Volume: 378.125
  Hydrophobic surface: 537.792  Hydrophilic surface: 140.76
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.