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


CHEMDIV-ZINC04873030

 MMsINC code: MMs00959027
Type: Neutral
Formula: C23H42N2O4
SMILES:   O(C(=O)C(NC(=O)C(NC(=O)C1CCC(CC1)CCCCC)C(C)C)C(C)C)C
InChI:   InChI=1/C23H42N2O4/c1-7-8-9-10-17-11-13-18(14-12-17)21(26)24-19(15(2)3)22(27)25-20(16(4)5)23(28)29-6/h15-20H,7-14H2,1-6H3,(H,24,26)(H,25,27)/t17-,18+,19-,20+/m1/s1

Download   format file 
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)=90.7184 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.599 g/mol  logS: -6.23597  SlogP: 3.8277  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0544513  Sterimol/B1: 2.11114  Sterimol/B2: 3.65443  Sterimol/B3: 4.3684
  Sterimol/B4: 8.88597  Sterimol/L: 21.2285 
 
 Surface and Volume Properties
  Accessible surface: 739.901  Positive charged surface: 562.696  Negative charged surface: 177.204  Volume: 435.375
  Hydrophobic surface: 570.219  Hydrophilic surface: 169.682
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.