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


PUBCHEM-ZINC02934100

 MMsINC code: MMs02962288
Type: Neutral
Formula: C19H26N4OS
SMILES:   S=C(Nc1cc(OC)ccc1)N(C(C)c1cccnc1)CCN(C)C
InChI:   InChI=1/C19H26N4OS/c1-15(16-7-6-10-20-14-16)23(12-11-22(2)3)19(25)21-17-8-5-9-18(13-17)24-4/h5-10,13-15H,11-12H2,1-4H3,(H,21,25)/t15-/m1/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)=145.987 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.51 g/mol  logS: -3.56102  SlogP: 3.5073  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155662  Sterimol/B1: 2.40988  Sterimol/B2: 6.00073  Sterimol/B3: 6.27066
  Sterimol/B4: 7.00424  Sterimol/L: 14.6468 
 
 Surface and Volume Properties
  Accessible surface: 618.893  Positive charged surface: 462.278  Negative charged surface: 156.614  Volume: 358.5
  Hydrophobic surface: 534.022  Hydrophilic surface: 84.871
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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


MMs02962289
PUBCHEM-ZINC02934100