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


CHEMDIV-ZINC06942089

 MMsINC code: MMs01066477
Type: Neutral
Formula: C24H32N2O4
SMILES:   O(C)c1ccccc1NC(=O)C1CCC(CC1)Cn1c(C)c(cc1C)C(OCC)=O
InChI:   InChI=1/C24H32N2O4/c1-5-30-24(28)20-14-16(2)26(17(20)3)15-18-10-12-19(13-11-18)23(27)25-21-8-6-7-9-22(21)29-4/h6-9,14,18-19H,5,10-13,15H2,1-4H3,(H,25,27)/t18-,19-

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)=97.329 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.53 g/mol  logS: -3.89337  SlogP: 5.00174  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0839493  Sterimol/B1: 2.3849  Sterimol/B2: 3.40218  Sterimol/B3: 5.78903
  Sterimol/B4: 8.92032  Sterimol/L: 20.2743 
 
 Surface and Volume Properties
  Accessible surface: 739.596  Positive charged surface: 530.026  Negative charged surface: 209.57  Volume: 417
  Hydrophobic surface: 637.935  Hydrophilic surface: 101.661
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.