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


MAYBRIDGE-ZINC01875301

 MMsINC code: MMs02158153
Type: Neutral
Formula: C10H15ClN2O2
SMILES:   ClC=1C(=O)N(CCCCC)C(=O)NC=1C
InChI:   InChI=1/C10H15ClN2O2/c1-3-4-5-6-13-9(14)8(11)7(2)12-10(13)15/h3-6H2,1-2H3,(H,12,15)

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)=2.65525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.695 g/mol  logS: -3.00347  SlogP: 2.3076  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0609176  Sterimol/B1: 2.57396  Sterimol/B2: 3.60137  Sterimol/B3: 4.01409
  Sterimol/B4: 4.64188  Sterimol/L: 14.4902 
 
 Surface and Volume Properties
  Accessible surface: 438.768  Positive charged surface: 266.577  Negative charged surface: 172.191  Volume: 214
  Hydrophobic surface: 323.017  Hydrophilic surface: 115.751
 
 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: no related molecules available.