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


NCID-ZINC05064356

 MMsINC code: MMs02435736
Type: Neutral
Formula: C10H19NO2
SMILES:   OC1(CCCCC1)C(NC(=O)C)C
InChI:   InChI=1/C10H19NO2/c1-8(11-9(2)12)10(13)6-4-3-5-7-10/h8,13H,3-7H2,1-2H3,(H,11,12)/t8-/m1/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)=28.8461 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -1.36628  SlogP: 1.2062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122995  Sterimol/B1: 2.14718  Sterimol/B2: 3.11613  Sterimol/B3: 3.46014
  Sterimol/B4: 6.42397  Sterimol/L: 12.1331 
 
 Surface and Volume Properties
  Accessible surface: 397.163  Positive charged surface: 282.958  Negative charged surface: 114.205  Volume: 193.25
  Hydrophobic surface: 312.32  Hydrophilic surface: 84.843
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.