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


PUBCHEM-ZINC05138096

 MMsINC code: MMs03210088
Type: Neutral
Formula: C15H24N2O3
SMILES:   O(CC(O)CNC(C)(C)C)c1ccc(N)cc1C(=O)C
InChI:   InChI=1/C15H24N2O3/c1-10(18)13-7-11(16)5-6-14(13)20-9-12(19)8-17-15(2,3)4/h5-7,12,17,19H,8-9,16H2,1-4H3/t12-/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)=88.1608 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.368 g/mol  logS: -2.01444  SlogP: 1.5992  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0397654  Sterimol/B1: 2.55774  Sterimol/B2: 3.57857  Sterimol/B3: 3.66234
  Sterimol/B4: 7.55109  Sterimol/L: 16.6404 
 
 Surface and Volume Properties
  Accessible surface: 556.095  Positive charged surface: 385.541  Negative charged surface: 170.554  Volume: 288.125
  Hydrophobic surface: 358.171  Hydrophilic surface: 197.924
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs03210089
PUBCHEM-ZINC05138096