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


NCID-ZINC05808303

 MMsINC code: MMs02498349
Type: Neutral
Formula: C20H26N2O
SMILES:   O(C)c1cc2N=C3C4(C5N(CCCC5(CC3)CC)CC4)c2cc1
InChI:   InChI=1/C20H26N2O/c1-3-19-8-4-11-22-12-10-20(18(19)22)15-6-5-14(23-2)13-16(15)21-17(20)7-9-19/h5-6,13,18H,3-4,7-12H2,1-2H3/t18-,19+,20-/m0/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)=136.487 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.441 g/mol  logS: -3.65062  SlogP: 4.0774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118933  Sterimol/B1: 3.41479  Sterimol/B2: 4.2444  Sterimol/B3: 4.48518
  Sterimol/B4: 5.56958  Sterimol/L: 15.282 
 
 Surface and Volume Properties
  Accessible surface: 515.15  Positive charged surface: 393.771  Negative charged surface: 121.378  Volume: 311.75
  Hydrophobic surface: 467.444  Hydrophilic surface: 47.706
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs02498350
NCID-ZINC05808303