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


CHEMBRIDGE-ZINC04989525

 MMsINC code: MMs00821805
Type: Neutral
Formula: C15H23NO
SMILES:   O(C)c1ccc(cc1)CNC1CC(CCC1)C
InChI:   InChI=1/C15H23NO/c1-12-4-3-5-14(10-12)16-11-13-6-8-15(17-2)9-7-13/h6-9,12,14,16H,3-5,10-11H2,1-2H3/t12-,14-/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)=46.3782 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.355 g/mol  logS: -3.16212  SlogP: 3.6299  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0510286  Sterimol/B1: 2.42442  Sterimol/B2: 2.49101  Sterimol/B3: 4.19572
  Sterimol/B4: 5.61742  Sterimol/L: 16.2868 
 
 Surface and Volume Properties
  Accessible surface: 493.967  Positive charged surface: 371.146  Negative charged surface: 122.821  Volume: 257.125
  Hydrophobic surface: 447.844  Hydrophilic surface: 46.123
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs00821806
CHEMBRIDGE-ZINC04989525