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


CHEMBLOCK-ZINC01436555

 MMsINC code: MMs00525140
Type: Neutral
Formula: C24H24N2O3
SMILES:   O(C)c1ccc(NC(=O)C(NC(=O)C(c2ccccc2)c2ccccc2)C)cc1
InChI:   InChI=1/C24H24N2O3/c1-17(23(27)26-20-13-15-21(29-2)16-14-20)25-24(28)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-17,22H,1-2H3,(H,25,28)(H,26,27)/t17-/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)=136.09 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.467 g/mol  logS: -5.60896  SlogP: 3.9705  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0537627  Sterimol/B1: 2.09234  Sterimol/B2: 3.19964  Sterimol/B3: 4.94321
  Sterimol/B4: 9.3614  Sterimol/L: 20.4284 
 
 Surface and Volume Properties
  Accessible surface: 693.828  Positive charged surface: 430.317  Negative charged surface: 263.511  Volume: 385.25
  Hydrophobic surface: 608.22  Hydrophilic surface: 85.608
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.