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


SIAL-ZINC04641523

 MMsINC code: MMs03924610
Type: Neutral
Formula: C10H9Cl2NO5
SMILES:   Clc1cc(Cl)ccc1NC(=O)C(O)C(O)C(O)=O
InChI:   InChI=1/C10H9Cl2NO5/c11-4-1-2-6(5(12)3-4)13-9(16)7(14)8(15)10(17)18/h1-3,7-8,14-15H,(H,13,16)(H,17,18)/t7-,8-/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)=65.1121 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.09 g/mol  logS: -2.64631  SlogP: 0.7383  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0561464  Sterimol/B1: 2.45941  Sterimol/B2: 2.88297  Sterimol/B3: 3.70048
  Sterimol/B4: 6.11172  Sterimol/L: 15.0417 
 
 Surface and Volume Properties
  Accessible surface: 461.489  Positive charged surface: 183.543  Negative charged surface: 277.946  Volume: 226.75
  Hydrophobic surface: 265.509  Hydrophilic surface: 195.98
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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


MMs03924611
SIAL-ZINC04641523