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


CHEMBLOCK-ZINC03665016

 MMsINC code: MMs00539656
Type: Neutral
Formula: C24H24N2O3
SMILES:   O(C(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(cc1C)C)c1ccccc1
InChI:   InChI=1/C24H24N2O3/c1-17-13-14-21(18(2)15-17)25-23(27)22(16-19-9-5-3-6-10-19)26-24(28)29-20-11-7-4-8-12-20/h3-15,22H,16H2,1-2H3,(H,25,27)(H,26,28)/t22-/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)=118.196 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.467 g/mol  logS: -6.03245  SlogP: 4.64181  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0354268  Sterimol/B1: 3.39238  Sterimol/B2: 3.49747  Sterimol/B3: 3.6921
  Sterimol/B4: 6.91297  Sterimol/L: 19.3746 
 
 Surface and Volume Properties
  Accessible surface: 662.715  Positive charged surface: 388.071  Negative charged surface: 274.644  Volume: 384.5
  Hydrophobic surface: 593.252  Hydrophilic surface: 69.463
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.