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


NIH-ZINC04004232

 MMsINC code: MMs02526711
Type: Neutral
Formula: C23H27N3O7
SMILES:   O(C)c1cc(ccc1OC)CCNC(=O)CCN1C(=O)c2cc(OC)c(OC)cc2NC1=O
InChI:   InChI=1/C23H27N3O7/c1-30-17-6-5-14(11-18(17)31-2)7-9-24-21(27)8-10-26-22(28)15-12-19(32-3)20(33-4)13-16(15)25-23(26)29/h5-6,11-13H,7-10H2,1-4H3,(H,24,27)(H,25,29)

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)=88.6037 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 457.483 g/mol  logS: -3.91729  SlogP: 2.45767  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0178976  Sterimol/B1: 3.0605  Sterimol/B2: 3.72973  Sterimol/B3: 3.77417
  Sterimol/B4: 7.40864  Sterimol/L: 24.419 
 
 Surface and Volume Properties
  Accessible surface: 781.348  Positive charged surface: 605.274  Negative charged surface: 176.074  Volume: 424.75
  Hydrophobic surface: 606.671  Hydrophilic surface: 174.677
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 7  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.