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


NCID-ZINC05840021

 MMsINC code: MMs02505415
Type: Neutral
Formula: C25H33N3O4
SMILES:   O(C(=O)C(NC(=O)C(NC(=O)N(CC)c1ccccc1)Cc1ccccc1)CC(C)C)C
InChI:   InChI=1/C25H33N3O4/c1-5-28(20-14-10-7-11-15-20)25(31)27-21(17-19-12-8-6-9-13-19)23(29)26-22(16-18(2)3)24(30)32-4/h6-15,18,21-22H,5,16-17H2,1-4H3,(H,26,29)(H,27,31)/t21-,22-/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)=110.888 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 439.556 g/mol  logS: -5.61894  SlogP: 3.53767  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.191116  Sterimol/B1: 2.31239  Sterimol/B2: 5.11316  Sterimol/B3: 5.8658
  Sterimol/B4: 9.96212  Sterimol/L: 17.6123 
 
 Surface and Volume Properties
  Accessible surface: 759.379  Positive charged surface: 512.745  Negative charged surface: 246.634  Volume: 445.5
  Hydrophobic surface: 636.533  Hydrophilic surface: 122.846
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.