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


OAKWOOD-ZINC02387002

 MMsINC code: MMs02543567
Type: Neutral
Formula: C23H20N2O4
SMILES:   O(CC1c2c(-c3c1cccc3)cccc2)C(=O)NC(CC(O)=O)c1cccnc1
InChI:   InChI=1/C23H20N2O4/c26-22(27)12-21(15-6-5-11-24-13-15)25-23(28)29-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-11,13,20-21H,12,14H2,(H,25,28)(H,26,27)/t21-/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)=65.9895 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.423 g/mol  logS: -4.48016  SlogP: 4.2316  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145013  Sterimol/B1: 3.53206  Sterimol/B2: 3.84454  Sterimol/B3: 5.85474
  Sterimol/B4: 7.00928  Sterimol/L: 15.6502 
 
 Surface and Volume Properties
  Accessible surface: 659.965  Positive charged surface: 396.083  Negative charged surface: 254.185  Volume: 367.25
  Hydrophobic surface: 517.729  Hydrophilic surface: 142.236
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02543568
OAKWOOD-ZINC02387002