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


PUBCHEM-ZINC02694630

 MMsINC code: MMs02911048
Type: Neutral
Formula: C19H31NO2
SMILES:   O(C(CC)c1ccccc1)CC(O)CN(C)C1CCCCC1
InChI:   InChI=1/C19H31NO2/c1-3-19(16-10-6-4-7-11-16)22-15-18(21)14-20(2)17-12-8-5-9-13-17/h4,6-7,10-11,17-19,21H,3,5,8-9,12-15H2,1-2H3/t18-,19-/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)=79.9691 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.462 g/mol  logS: -3.19655  SlogP: 3.8752  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.051471  Sterimol/B1: 2.39733  Sterimol/B2: 2.99276  Sterimol/B3: 4.17175
  Sterimol/B4: 7.31402  Sterimol/L: 18.0228 
 
 Surface and Volume Properties
  Accessible surface: 608.102  Positive charged surface: 447.57  Negative charged surface: 160.532  Volume: 335.625
  Hydrophobic surface: 553.242  Hydrophilic surface: 54.86
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02911049
PUBCHEM-ZINC02694630