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


CHEMBLOCK-ZINC00707359

 MMsINC code: MMs00506793
Type: Neutral
Formula: C28H23NO3
SMILES:   O=C1N(C(=O)C2C1C1(c3c(cccc3)C2(c2c1cccc2)C)C)c1cc(ccc1)C(=O)
C
InChI:   InChI=1/C28H23NO3/c1-16(30)17-9-8-10-18(15-17)29-25(31)23-24(26(29)32)28(3)21-13-6-4-11-19(21)27(23,2)20-12-5-7-14-22(20)28/h4-15,23-24H,1-3H3/t23-,24-,27-,28+/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)=212.31 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 421.496 g/mol  logS: -6.52546  SlogP: 4.634  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.18013  Sterimol/B1: 3.77626  Sterimol/B2: 4.22994  Sterimol/B3: 5.8576
  Sterimol/B4: 6.34336  Sterimol/L: 16.8412 
 
 Surface and Volume Properties
  Accessible surface: 641.299  Positive charged surface: 347.948  Negative charged surface: 293.351  Volume: 400.75
  Hydrophobic surface: 531.458  Hydrophilic surface: 109.841
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.