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


ASINEX-ZINC00280317

 MMsINC code: MMs00107034
Type: Neutral
Formula: C19H25N3O3
SMILES:   O=C1N(CC(C1)C(=O)Nc1ccc(NC(=O)C)cc1)C1CCCCC1
InChI:   InChI=1/C19H25N3O3/c1-13(23)20-15-7-9-16(10-8-15)21-19(25)14-11-18(24)22(12-14)17-5-3-2-4-6-17/h7-10,14,17H,2-6,11-12H2,1H3,(H,20,23)(H,21,25)/t14-/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)=62.3522 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.427 g/mol  logS: -3.12138  SlogP: 2.7647  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0300354  Sterimol/B1: 2.88935  Sterimol/B2: 2.9864  Sterimol/B3: 4.20019
  Sterimol/B4: 4.94753  Sterimol/L: 20.8946 
 
 Surface and Volume Properties
  Accessible surface: 618.636  Positive charged surface: 432.003  Negative charged surface: 186.633  Volume: 335.875
  Hydrophobic surface: 505.505  Hydrophilic surface: 113.131
 
 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.