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


CHEMBRIDGE-ZINC00615443

 MMsINC code: MMs00634367
Type: Neutral
Formula: C21H25NO2
SMILES:   O(C)c1ccc(cc1)CC(=O)NC(C1CCCC1)c1ccccc1
InChI:   InChI=1/C21H25NO2/c1-24-19-13-11-16(12-14-19)15-20(23)22-21(18-9-5-6-10-18)17-7-3-2-4-8-17/h2-4,7-8,11-14,18,21H,5-6,9-10,15H2,1H3,(H,22,23)/t21-/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)=75.5489 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.436 g/mol  logS: -5.06991  SlogP: 4.38087  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0901338  Sterimol/B1: 2.68165  Sterimol/B2: 4.48865  Sterimol/B3: 5.10998
  Sterimol/B4: 7.34933  Sterimol/L: 16.9843 
 
 Surface and Volume Properties
  Accessible surface: 620.498  Positive charged surface: 433.996  Negative charged surface: 186.502  Volume: 339.5
  Hydrophobic surface: 585.508  Hydrophilic surface: 34.99
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.