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


ENAMINE-ZINC03370896

 MMsINC code: MMs01401734
Type: Neutral
Formula: C19H25N3O3
SMILES:   O=C1N(CC(=O)NCc2ccc(cc2)C)C(=O)NC12CCCCC2C
InChI:   InChI=1/C19H25N3O3/c1-13-6-8-15(9-7-13)11-20-16(23)12-22-17(24)19(21-18(22)25)10-4-3-5-14(19)2/h6-9,14H,3-5,10-12H2,1-2H3,(H,20,23)(H,21,25)/t14-,19+/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)=32.9105 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.427 g/mol  logS: -4.12179  SlogP: 2.37832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0484663  Sterimol/B1: 3.42061  Sterimol/B2: 3.91681  Sterimol/B3: 4.54729
  Sterimol/B4: 4.90554  Sterimol/L: 19.4926 
 
 Surface and Volume Properties
  Accessible surface: 617.661  Positive charged surface: 399.096  Negative charged surface: 218.565  Volume: 336.75
  Hydrophobic surface: 471.91  Hydrophilic surface: 145.751
 
 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.