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


ENAMINE-ZINC07140977

 MMsINC code: MMs01722600
Type: Neutral
Formula: C15H24N2O
SMILES:   OC(CNCC1N(CCC1)CC)c1ccccc1
InChI:   InChI=1/C15H24N2O/c1-2-17-10-6-9-14(17)11-16-12-15(18)13-7-4-3-5-8-13/h3-5,7-8,14-16,18H,2,6,9-12H2,1H3/t14-,15+/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)=69.9153 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.37 g/mol  logS: -1.70032  SlogP: 1.8894  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0802656  Sterimol/B1: 2.26566  Sterimol/B2: 3.6437  Sterimol/B3: 3.82239
  Sterimol/B4: 7.04563  Sterimol/L: 15.7694 
 
 Surface and Volume Properties
  Accessible surface: 521.529  Positive charged surface: 375.279  Negative charged surface: 146.25  Volume: 271.625
  Hydrophobic surface: 455.311  Hydrophilic surface: 66.218
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs01722601
ENAMINE-ZINC07140977