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


PUBCHEM-ZINC06565093

MMsINC code: MMs03799803

Type: Neutral
Formula: C18H24N4O4
SMILES:   O(C)c1ccc(cc1)-c1n(C)c(nc1)NC(=O)CCC(=O)NCC(O)C
InChI:   InChI=1/C18H24N4O4/c1-12(23)10-19-16(24)8-9-17(25)21-18-20-11-15(22(18)2)13-4-6-14(26-3)7-5-13/h4-7,11-12,23H,8-10H2,1-3H3,(H,19,24)(H,20,21,25)/t12-/m1/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)=68.0497 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.414 g/mol  logS: -3.19358  SlogP: 1.6706  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0071975  Sterimol/B1: 2.59342  Sterimol/B2: 2.66453  Sterimol/B3: 3.98124
  Sterimol/B4: 4.04201  Sterimol/L: 24.4252 
 
 Surface and Volume Properties
  Accessible surface: 670.412  Positive charged surface: 502.132  Negative charged surface: 168.28  Volume: 346.5
  Hydrophobic surface: 479.37  Hydrophilic surface: 191.042
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.