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


CHEMDIV-ZINC04057218

 MMsINC code: MMs00924410
Type: Neutral
Formula: C26H27N3O6
SMILES:   O(C)c1cc(NC(=O)C2c3c(cc(OC)c(OC)c3)C(=O)N(C)C2c2cccnc2)ccc1O
C
InChI:   InChI=1/C26H27N3O6/c1-29-24(15-7-6-10-27-14-15)23(17-12-21(34-4)22(35-5)13-18(17)26(29)31)25(30)28-16-8-9-19(32-2)20(11-16)33-3/h6-14,23-24H,1-5H3,(H,28,30)/t23-,24+/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)=177.522 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 477.517 g/mol  logS: -4.19116  SlogP: 3.7607  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.190074  Sterimol/B1: 2.3581  Sterimol/B2: 2.65816  Sterimol/B3: 7.02977
  Sterimol/B4: 9.70512  Sterimol/L: 18.1161 
 
 Surface and Volume Properties
  Accessible surface: 757.342  Positive charged surface: 601.197  Negative charged surface: 156.146  Volume: 441.875
  Hydrophobic surface: 659.617  Hydrophilic surface: 97.725
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 7  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.