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


AURORAFEINCHEMIE-ZINC02125089

 MMsINC code: MMs00450968
Type: Neutral
Formula: C19H24N4O4
SMILES:   OC(=O)C(NC(=O)C1CCN(CC1)C(=O)CN)Cc1c2c([nH]c1)cccc2
InChI:   InChI=1/C19H24N4O4/c20-10-17(24)23-7-5-12(6-8-23)18(25)22-16(19(26)27)9-13-11-21-15-4-2-1-3-14(13)15/h1-4,11-12,16,21H,5-10,20H2,(H,22,25)(H,26,27)/t16-/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)=74.7385 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.425 g/mol  logS: -1.94502  SlogP: 0.47707  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110528  Sterimol/B1: 2.12845  Sterimol/B2: 3.41521  Sterimol/B3: 5.72731
  Sterimol/B4: 9.51054  Sterimol/L: 16.2925 
 
 Surface and Volume Properties
  Accessible surface: 616.787  Positive charged surface: 415.318  Negative charged surface: 198.673  Volume: 350.125
  Hydrophobic surface: 365.684  Hydrophilic surface: 251.103
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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.