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


CHEMDIV-ZINC02468685

 MMsINC code: MMs00878915
Type: Neutral
Formula: C23H25N3O2
SMILES:   O=C1N(C)C(C(c2c1cccc2)C(=O)NC(C)C)c1c2c(n(c1)C)cccc2
InChI:   InChI=1/C23H25N3O2/c1-14(2)24-22(27)20-16-10-5-6-11-17(16)23(28)26(4)21(20)18-13-25(3)19-12-8-7-9-15(18)19/h5-14,20-21H,1-4H3,(H,24,27)/t20-,21-/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)=116.503 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.472 g/mol  logS: -4.26225  SlogP: 4.0681  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125537  Sterimol/B1: 2.68531  Sterimol/B2: 3.73842  Sterimol/B3: 5.16542
  Sterimol/B4: 8.30492  Sterimol/L: 15.0081 
 
 Surface and Volume Properties
  Accessible surface: 606.38  Positive charged surface: 395.132  Negative charged surface: 208.505  Volume: 372.75
  Hydrophobic surface: 515.621  Hydrophilic surface: 90.759
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.