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


CHEMDIV-ZINC06795326

 MMsINC code: MMs01025058
Type: Neutral
Formula: C24H26N4O2
SMILES:   O=C1N=C2N(N(c3c2cccc3)C(CC)C(=O)Nc2c(cc(cc2C)C)C)C(=C1)C
InChI:   InChI=1/C24H26N4O2/c1-6-19(24(30)26-22-15(3)11-14(2)12-16(22)4)28-20-10-8-7-9-18(20)23-25-21(29)13-17(5)27(23)28/h7-13,19H,6H2,1-5H3,(H,26,30)/t19-/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)=164.309 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.498 g/mol  logS: -5.90617  SlogP: 4.25676  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.239795  Sterimol/B1: 2.36987  Sterimol/B2: 5.71033  Sterimol/B3: 5.77983
  Sterimol/B4: 7.19741  Sterimol/L: 16.6991 
 
 Surface and Volume Properties
  Accessible surface: 657.728  Positive charged surface: 371.103  Negative charged surface: 286.625  Volume: 396.75
  Hydrophobic surface: 543.69  Hydrophilic surface: 114.038
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.