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


NCID-ZINC01562546

 MMsINC code: MMs02224474
Type: Neutral
Formula: C10H19ClN2O3
SMILES:   ClCCNC(=O)NC1C(O)CC(CC1O)C
InChI:   InChI=1/C10H19ClN2O3/c1-6-4-7(14)9(8(15)5-6)13-10(16)12-3-2-11/h6-9,14-15H,2-5H2,1H3,(H2,12,13,16)/t6-,7-,8-,9-/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)=12.4899 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.726 g/mol  logS: -1.2339  SlogP: 0.0447  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0686827  Sterimol/B1: 2.75323  Sterimol/B2: 3.3185  Sterimol/B3: 3.83605
  Sterimol/B4: 5.15133  Sterimol/L: 15.9888 
 
 Surface and Volume Properties
  Accessible surface: 478.946  Positive charged surface: 327.592  Negative charged surface: 151.353  Volume: 229.125
  Hydrophobic surface: 241.088  Hydrophilic surface: 237.858
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: no related molecules available.