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


CHEMDIV-ZINC03895844

 MMsINC code: MMs00917620
Type: Neutral
Formula: C19H35N3O4
SMILES:   O(CC(=O)NCCNC(=O)C(NC(=O)C1CCC(CC1)C)C(C)C)CC
InChI:   InChI=1/C19H35N3O4/c1-5-26-12-16(23)20-10-11-21-19(25)17(13(2)3)22-18(24)15-8-6-14(4)7-9-15/h13-15,17H,5-12H2,1-4H3,(H,20,23)(H,21,25)(H,22,24)/t14-,15-,17-/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)=67.5384 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.506 g/mol  logS: -3.67859  SlogP: 1.2224  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0305487  Sterimol/B1: 3.87894  Sterimol/B2: 3.89536  Sterimol/B3: 4.07672
  Sterimol/B4: 5.25857  Sterimol/L: 24.4922 
 
 Surface and Volume Properties
  Accessible surface: 714.414  Positive charged surface: 541.381  Negative charged surface: 173.032  Volume: 380.25
  Hydrophobic surface: 511.139  Hydrophilic surface: 203.275
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.