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


CHEMDIV-ZINC06738676

 MMsINC code: MMs01006983
Type: Neutral
Formula: C19H30N6O2
SMILES:   O=C1N(C=Nc2n3CCCCCc3nc12)CC(=O)NCCCN(CC)CC
InChI:   InChI=1/C19H30N6O2/c1-3-23(4-2)11-8-10-20-16(26)13-24-14-21-18-17(19(24)27)22-15-9-6-5-7-12-25(15)18/h14H,3-13H2,1-2H3,(H,20,26)

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)=66.7535 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.489 g/mol  logS: -2.4918  SlogP: 1.83957  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0323755  Sterimol/B1: 2.2225  Sterimol/B2: 3.75159  Sterimol/B3: 4.11301
  Sterimol/B4: 6.58789  Sterimol/L: 21.4892 
 
 Surface and Volume Properties
  Accessible surface: 690.194  Positive charged surface: 529.204  Negative charged surface: 160.989  Volume: 371
  Hydrophobic surface: 510.073  Hydrophilic surface: 180.121
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs01006984
CHEMDIV-ZINC06738676