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


PUBCHEM-ZINC04682657

 MMsINC code: MMs03155879
Type: Neutral
Formula: C20H30N4O4
SMILES:   O(C(=O)C(NC(=O)CCC(=O)N1CCN(CC1)c1ncccc1)CC(C)C)C
InChI:   InChI=1/C20H30N4O4/c1-15(2)14-16(20(27)28-3)22-18(25)7-8-19(26)24-12-10-23(11-13-24)17-6-4-5-9-21-17/h4-6,9,15-16H,7-8,10-14H2,1-3H3,(H,22,25)/t16-/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)=126.52 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.484 g/mol  logS: -2.48483  SlogP: 1.2143  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0436301  Sterimol/B1: 2.09354  Sterimol/B2: 2.52155  Sterimol/B3: 5.06495
  Sterimol/B4: 7.8216  Sterimol/L: 21.3956 
 
 Surface and Volume Properties
  Accessible surface: 703.953  Positive charged surface: 547.453  Negative charged surface: 156.5  Volume: 384.125
  Hydrophobic surface: 552.687  Hydrophilic surface: 151.266
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.