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


PUBCHEM-ZINC04764733

 MMsINC code: MMs03168208
Type: Neutral
Formula: C24H30N2O5
SMILES:   O(Cc1ccccc1)C(=O)C(NC(=O)C(NC(OCc1ccccc1)=O)CC(C)C)C
InChI:   InChI=1/C24H30N2O5/c1-17(2)14-21(26-24(29)31-16-20-12-8-5-9-13-20)22(27)25-18(3)23(28)30-15-19-10-6-4-7-11-19/h4-13,17-18,21H,14-16H2,1-3H3,(H,25,27)(H,26,29)/t18-,21-/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)=82.0681 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.513 g/mol  logS: -5.8431  SlogP: 4.1084  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0447518  Sterimol/B1: 2.59949  Sterimol/B2: 2.92294  Sterimol/B3: 5.61543
  Sterimol/B4: 8.67387  Sterimol/L: 23.2981 
 
 Surface and Volume Properties
  Accessible surface: 788.458  Positive charged surface: 495.87  Negative charged surface: 292.588  Volume: 425.25
  Hydrophobic surface: 615.753  Hydrophilic surface: 172.705
 
 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.