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


ENAMINE-ZINC06561066

 MMsINC code: MMs01674669
Type: Neutral
Formula: C18H26N2O3
SMILES:   O(C)c1ccccc1C(NC(=O)CNC(=O)C1CCCCC1)C
InChI:   InChI=1/C18H26N2O3/c1-13(15-10-6-7-11-16(15)23-2)20-17(21)12-19-18(22)14-8-4-3-5-9-14/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3,(H,19,22)(H,20,21)/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)=59.0585 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.417 g/mol  logS: -3.93569  SlogP: 2.6644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0395588  Sterimol/B1: 2.21955  Sterimol/B2: 3.86426  Sterimol/B3: 5.43528
  Sterimol/B4: 5.93419  Sterimol/L: 18.3341 
 
 Surface and Volume Properties
  Accessible surface: 617.355  Positive charged surface: 451.862  Negative charged surface: 165.493  Volume: 322.875
  Hydrophobic surface: 515.401  Hydrophilic surface: 101.954
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.