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


NIH-ZINC03895701

 MMsINC code: MMs02526005
Type: Neutral
Formula: C20H37N3O3
SMILES:   O1CCN(CC1)CCCNC(=O)C(NC(=O)C1CCC(CC1)C)C(C)C
InChI:   InChI=1/C20H37N3O3/c1-15(2)18(22-19(24)17-7-5-16(3)6-8-17)20(25)21-9-4-10-23-11-13-26-14-12-23/h15-18H,4-14H2,1-3H3,(H,21,25)(H,22,24)/t16-,17-,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)=70.2489 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.534 g/mol  logS: -3.42731  SlogP: 1.792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0403742  Sterimol/B1: 2.90082  Sterimol/B2: 3.46879  Sterimol/B3: 4.4231
  Sterimol/B4: 6.49685  Sterimol/L: 21.9854 
 
 Surface and Volume Properties
  Accessible surface: 694.133  Positive charged surface: 563.999  Negative charged surface: 130.134  Volume: 385
  Hydrophobic surface: 557.216  Hydrophilic surface: 136.917
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs02526006
NIH-ZINC03895701