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


PUBCHEM-ZINC05995635

 MMsINC code: MMs03479859
Type: Neutral
Formula: C23H30N2O3
SMILES:   O(C(=O)c1c2c(nc(CC)c1C)cccc2)CC(=O)NC1CCCC(C)C1C
InChI:   InChI=1/C23H30N2O3/c1-5-18-16(4)22(17-10-6-7-11-20(17)24-18)23(27)28-13-21(26)25-19-12-8-9-14(2)15(19)3/h6-7,10-11,14-15,19H,5,8-9,12-13H2,1-4H3,(H,25,26)/t14-,15-,19-/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)=96.1621 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.504 g/mol  logS: -5.39148  SlogP: 4.20329  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0660226  Sterimol/B1: 2.42908  Sterimol/B2: 2.46803  Sterimol/B3: 5.72146
  Sterimol/B4: 9.20194  Sterimol/L: 17.4523 
 
 Surface and Volume Properties
  Accessible surface: 692.629  Positive charged surface: 444.503  Negative charged surface: 241.925  Volume: 386.75
  Hydrophobic surface: 550.475  Hydrophilic surface: 142.154
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.