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CHEMBLOCK-ZINC00974295

 MMsINC code: MMs00509949
Type: Neutral
Formula: C16H9Cl2NO4
SMILES:   Clc1cc(Cl)cnc1Oc1ccc(OC(=O)c2occc2)cc1
InChI:   InChI=1/C16H9Cl2NO4/c17-10-8-13(18)15(19-9-10)22-11-3-5-12(6-4-11)23-16(20)14-2-1-7-21-14/h1-9H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.9086 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.157 g/mol  logS: -5.55492  SlogP: 4.9929  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0401896  Sterimol/B1: 3.33433  Sterimol/B2: 3.90824  Sterimol/B3: 4.38947
  Sterimol/B4: 4.88193  Sterimol/L: 18.5693 
 
 Surface and Volume Properties
  Accessible surface: 576.292  Positive charged surface: 248.561  Negative charged surface: 327.73  Volume: 289.375
  Hydrophobic surface: 521.435  Hydrophilic surface: 54.857
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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
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Ions/Tautomers related molecules: no related molecules available.