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


NCID-ZINC05956985

 MMsINC code: MMs02513667
Type: Neutral
Formula: C29H30N2O7
SMILES:   O(Cc1ccccc1)C(=O)C(C(=O)NC(Cc1ccccc1)C(OC)=O)CNC(OCc1ccccc1)
=O
InChI:   InChI=1/C29H30N2O7/c1-36-28(34)25(17-21-11-5-2-6-12-21)31-26(32)24(27(33)37-19-22-13-7-3-8-14-22)18-30-29(35)38-20-23-15-9-4-10-16-23/h2-16,24-25H,17-20H2,1H3,(H,30,35)(H,31,32)/t24-,25+/m0/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)=75.416 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 518.566 g/mol  logS: -5.95049  SlogP: 3.70567  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136484  Sterimol/B1: 2.29728  Sterimol/B2: 2.53206  Sterimol/B3: 8.52242
  Sterimol/B4: 8.91633  Sterimol/L: 19.6919 
 
 Surface and Volume Properties
  Accessible surface: 866.95  Positive charged surface: 553.654  Negative charged surface: 313.296  Volume: 497.5
  Hydrophobic surface: 743.514  Hydrophilic surface: 123.436
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.