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


ASINEX-ZINC03902834

 MMsINC code: MMs00293873
Type: Neutral
Formula: C15H22N2O2
SMILES:   OC(CNCCO)Cn1c2c(cccc2)c(C)c1C
InChI:   InChI=1/C15H22N2O2/c1-11-12(2)17(10-13(19)9-16-7-8-18)15-6-4-3-5-14(11)15/h3-6,13,16,18-19H,7-10H2,1-2H3/t13-/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)=56.3468 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.353 g/mol  logS: -1.40451  SlogP: 1.46734  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0716533  Sterimol/B1: 2.54893  Sterimol/B2: 3.11727  Sterimol/B3: 4.28883
  Sterimol/B4: 7.51638  Sterimol/L: 14.9305 
 
 Surface and Volume Properties
  Accessible surface: 528.836  Positive charged surface: 367.291  Negative charged surface: 155.74  Volume: 274.375
  Hydrophobic surface: 432.387  Hydrophilic surface: 96.449
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00293874
ASINEX-ZINC03902834