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


PUBCHEM-ZINC03628484

 MMsINC code: MMs03026644
Type: Neutral
Formula: C15H25NO
SMILES:   O=C(N)C(C)C=1CCC(CC=1)C1CCCCC1
InChI:   InChI=1/C15H25NO/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7,11,13-14H,2-6,8-10H2,1H3,(H2,16,17)/t11-,14+/m0/s1

Download   format file 
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)=39.0886 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.371 g/mol  logS: -5.0275  SlogP: 3.4146  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0862615  Sterimol/B1: 2.43188  Sterimol/B2: 3.47784  Sterimol/B3: 4.14475
  Sterimol/B4: 5.00295  Sterimol/L: 14.8628 
 
 Surface and Volume Properties
  Accessible surface: 478.187  Positive charged surface: 365.279  Negative charged surface: 112.908  Volume: 254.625
  Hydrophobic surface: 355.81  Hydrophilic surface: 122.377
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: no related molecules available.