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


CHEMBRIDGE-ZINC04725586

 MMsINC code: MMs00780843
Type: Neutral
Formula: C23H30N2O3
SMILES:   O(C)c1cc(OC)ccc1CN1CCC(CC1)C(=O)NC(C)c1ccccc1
InChI:   InChI=1/C23H30N2O3/c1-17(18-7-5-4-6-8-18)24-23(26)19-11-13-25(14-12-19)16-20-9-10-21(27-2)15-22(20)28-3/h4-10,15,17,19H,11-14,16H2,1-3H3,(H,24,26)/t17-/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)=93.9164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.504 g/mol  logS: -3.93363  SlogP: 4.1551  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104146  Sterimol/B1: 3.8848  Sterimol/B2: 4.15569  Sterimol/B3: 5.21522
  Sterimol/B4: 7.47649  Sterimol/L: 17.4207 
 
 Surface and Volume Properties
  Accessible surface: 698.589  Positive charged surface: 508.019  Negative charged surface: 190.57  Volume: 390.125
  Hydrophobic surface: 634.484  Hydrophilic surface: 64.105
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00780844
CHEMBRIDGE-ZINC04725586