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


ENAMINE-ZINC06948602

 MMsINC code: MMs01716662
Type: Neutral
Formula: C25H24N2O3
SMILES:   O(C)c1ccccc1CNC(=O)C1N(Cc2c(C1)cccc2)C(=O)c1ccccc1
InChI:   InChI=1/C25H24N2O3/c1-30-23-14-8-7-12-20(23)16-26-24(28)22-15-19-11-5-6-13-21(19)17-27(22)25(29)18-9-3-2-4-10-18/h2-14,22H,15-17H2,1H3,(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)=138.658 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.478 g/mol  logS: -5.36764  SlogP: 4.11147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.167565  Sterimol/B1: 3.83275  Sterimol/B2: 4.44724  Sterimol/B3: 5.45204
  Sterimol/B4: 8.37846  Sterimol/L: 14.0527 
 
 Surface and Volume Properties
  Accessible surface: 670.608  Positive charged surface: 421.402  Negative charged surface: 249.206  Volume: 394.625
  Hydrophobic surface: 618.814  Hydrophilic surface: 51.794
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.