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


NCID-ZINC01654517

 MMsINC code: MMs02293203
Type: Neutral
Formula: C15H20N2O2
SMILES:   O(C(=O)c1[nH]c2c(c1)cccc2)CCN(CC)CC
InChI:   InChI=1/C15H20N2O2/c1-3-17(4-2)9-10-19-15(18)14-11-12-7-5-6-8-13(12)16-14/h5-8,11,16H,3-4,9-10H2,1-2H3

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)=42.2388 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.337 g/mol  logS: -2.76174  SlogP: 2.6665  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0976081  Sterimol/B1: 2.24638  Sterimol/B2: 4.69625  Sterimol/B3: 4.70123
  Sterimol/B4: 5.8938  Sterimol/L: 14.9804 
 
 Surface and Volume Properties
  Accessible surface: 526.842  Positive charged surface: 346.145  Negative charged surface: 175.315  Volume: 269.875
  Hydrophobic surface: 424.078  Hydrophilic surface: 102.764
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02293204
NCID-ZINC01654517