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


CHEMDIV-ZINC06771298

 MMsINC code: MMs01019231
Type: Neutral
Formula: C23H27N3O4
SMILES:   O1CCN(CC1)Cc1ccc(NC(=O)c2c3c(CN(CCOC)C3=O)ccc2)cc1
InChI:   InChI=1/C23H27N3O4/c1-29-12-11-26-16-18-3-2-4-20(21(18)23(26)28)22(27)24-19-7-5-17(6-8-19)15-25-9-13-30-14-10-25/h2-8H,9-16H2,1H3,(H,24,27)

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)=132.934 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.486 g/mol  logS: -3.82298  SlogP: 2.9061  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0618991  Sterimol/B1: 2.37197  Sterimol/B2: 2.56303  Sterimol/B3: 6.13872
  Sterimol/B4: 9.88179  Sterimol/L: 19.2552 
 
 Surface and Volume Properties
  Accessible surface: 717.388  Positive charged surface: 560.697  Negative charged surface: 156.691  Volume: 398.875
  Hydrophobic surface: 638.214  Hydrophilic surface: 79.174
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs01019232
CHEMDIV-ZINC06771298