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


OTAVA-ZINC01992283

 MMsINC code: MMs02578832
Type: Neutral
Formula: C26H24N2O2
SMILES:   O1c2c(cc(OC)cc2)/C(=N\c2ccc(N3CCCC3)cc2)/C=C1c1ccccc1
InChI:   InChI=1/C26H24N2O2/c1-29-22-13-14-25-23(17-22)24(18-26(30-25)19-7-3-2-4-8-19)27-20-9-11-21(12-10-20)28-15-5-6-16-28/h2-4,7-14,17-18H,5-6,15-16H2,1H3/b27-24+

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)=191.037 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.49 g/mol  logS: -6.99729  SlogP: 5.8497  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0291622  Sterimol/B1: 2.54058  Sterimol/B2: 3.08315  Sterimol/B3: 3.71415
  Sterimol/B4: 12.007  Sterimol/L: 17.756 
 
 Surface and Volume Properties
  Accessible surface: 695.932  Positive charged surface: 465.86  Negative charged surface: 230.073  Volume: 394.375
  Hydrophobic surface: 659.158  Hydrophilic surface: 36.774
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.