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


PUBCHEM-ZINC03696150

 MMsINC code: MMs03046185
Type: Neutral
Formula: C19H24N2O2
SMILES:   O(C)c1c2c(ccc1OC)C(NCC2)c1ccc(N(C)C)cc1
InChI:   InChI=1/C19H24N2O2/c1-21(2)14-7-5-13(6-8-14)18-15-9-10-17(22-3)19(23-4)16(15)11-12-20-18/h5-10,18,20H,11-12H2,1-4H3/t18-/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)=118.486 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.413 g/mol  logS: -3.10532  SlogP: 3.10037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137965  Sterimol/B1: 3.75619  Sterimol/B2: 4.46823  Sterimol/B3: 4.88382
  Sterimol/B4: 6.7423  Sterimol/L: 15.5364 
 
 Surface and Volume Properties
  Accessible surface: 576.668  Positive charged surface: 472.139  Negative charged surface: 104.529  Volume: 321.25
  Hydrophobic surface: 546.838  Hydrophilic surface: 29.83
 
 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


MMs03046186
PUBCHEM-ZINC03696150