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


MDPI-ZINC03845998

 MMsINC code: MMs02179419
Type: Neutral
Formula: C10H19NO
SMILES:   O=C(N)C1CCC(C)(C)C1(C)C
InChI:   InChI=1/C10H19NO/c1-9(2)6-5-7(8(11)12)10(9,3)4/h7H,5-6H2,1-4H3,(H2,11,12)/t7-/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)=64.6622 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.268 g/mol  logS: -3.26928  SlogP: 1.9341  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.404168  Sterimol/B1: 2.61903  Sterimol/B2: 3.13815  Sterimol/B3: 4.33969
  Sterimol/B4: 4.84056  Sterimol/L: 10.2327 
 
 Surface and Volume Properties
  Accessible surface: 352.477  Positive charged surface: 248.703  Negative charged surface: 103.774  Volume: 186
  Hydrophobic surface: 209.776  Hydrophilic surface: 142.701
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.