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


PUBCHEM-ZINC03616711

 MMsINC code: MMs03023285
Type: Neutral
Formula: C16H25NO2
SMILES:   Oc1ccc(cc1)C(O)C(N1CCC(CC1)CC)C
InChI:   InChI=1/C16H25NO2/c1-3-13-8-10-17(11-9-13)12(2)16(19)14-4-6-15(18)7-5-14/h4-7,12-13,16,18-19H,3,8-11H2,1-2H3/t12-,16+/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)=76.365 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.381 g/mol  logS: -2.80364  SlogP: 3.0316  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168456  Sterimol/B1: 3.30559  Sterimol/B2: 4.27033  Sterimol/B3: 4.45848
  Sterimol/B4: 5.34992  Sterimol/L: 13.4801 
 
 Surface and Volume Properties
  Accessible surface: 490.104  Positive charged surface: 345.935  Negative charged surface: 144.169  Volume: 278.125
  Hydrophobic surface: 364.17  Hydrophilic surface: 125.934
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03023286
PUBCHEM-ZINC03616711