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


ENAMINE-ZINC04829785

 MMsINC code: MMs01554764
Type: Neutral
Formula: C19H25N5O4
SMILES:   O=C1N(C)C(=O)N(c2ncn(c12)CC(=O)c1cc(n(C(COC)C)c1C)C)C
InChI:   InChI=1/C19H25N5O4/c1-11-7-14(13(3)24(11)12(2)9-28-6)15(25)8-23-10-20-17-16(23)18(26)22(5)19(27)21(17)4/h7,10,12H,8-9H2,1-6H3/t12-/m1/s1

Download   format file 
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)=35.8882 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.44 g/mol  logS: -2.22144  SlogP: 2.39544  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0787749  Sterimol/B1: 2.46559  Sterimol/B2: 4.09099  Sterimol/B3: 5.63573
  Sterimol/B4: 6.43513  Sterimol/L: 19.396 
 
 Surface and Volume Properties
  Accessible surface: 659.671  Positive charged surface: 504.421  Negative charged surface: 155.25  Volume: 367.625
  Hydrophobic surface: 525.263  Hydrophilic surface: 134.408
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.