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


ASINEX-ZINC02260704

MMsINC code: MMs00266551

Type: Neutral
Formula: C25H26N2O
SMILES:   O=C(N1c2c(cccc2C)C(Nc2ccccc2C)CC1C)c1ccccc1
InChI:   InChI=1/C25H26N2O/c1-17-10-7-8-15-22(17)26-23-16-19(3)27(24-18(2)11-9-14-21(23)24)25(28)20-12-5-4-6-13-20/h4-15,19,23,26H,16H2,1-3H3/t19-,23+/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)=238.673 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.496 g/mol  logS: -5.812  SlogP: 5.99114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107607  Sterimol/B1: 2.21384  Sterimol/B2: 3.06509  Sterimol/B3: 6.43216
  Sterimol/B4: 7.52011  Sterimol/L: 17.0982 
 
 Surface and Volume Properties
  Accessible surface: 620.011  Positive charged surface: 372.74  Negative charged surface: 247.27  Volume: 373.375
  Hydrophobic surface: 588.305  Hydrophilic surface: 31.706
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1

  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.