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


CHEMDIV-ZINC04101673

 MMsINC code: MMs00926325
Type: Neutral
Formula: C23H32N2O4
SMILES:   O(CCC)c1ccc(cc1OC)C1N(C2CC2)C(=O)CN(C1=O)C1CCCCC1
InChI:   InChI=1/C23H32N2O4/c1-3-13-29-19-12-9-16(14-20(19)28-2)22-23(27)24(17-7-5-4-6-8-17)15-21(26)25(22)18-10-11-18/h9,12,14,17-18,22H,3-8,10-11,13,15H2,1-2H3/t22-/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)=154.215 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.519 g/mol  logS: -4.2937  SlogP: 3.7865  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.204588  Sterimol/B1: 2.61379  Sterimol/B2: 3.52423  Sterimol/B3: 7.76424
  Sterimol/B4: 9.64165  Sterimol/L: 17.1577 
 
 Surface and Volume Properties
  Accessible surface: 682.218  Positive charged surface: 516.564  Negative charged surface: 165.654  Volume: 400.125
  Hydrophobic surface: 553.844  Hydrophilic surface: 128.374
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.